Human lung cancer still remains one of the dangerous diseases among human being worldwide. The danger of this disease in medical world remains colossal and this has drawn the attention of seasoned researcher to find lasting solution to this menace. Thus, eight novel 1,2,4-thiadiazole-1,2,4-triazole derivatives were investigated to observe their anti-epidermal growth factor receptor kinase thereby reducing human lung cancer. The software used to achieve this work was Spartan 14 (optimization), Pymol (for treating downloaded protein), Autodock Tool (for locating binding site in the downloaded protein and for converting ligand and receptor to .pdbqt format from .pdb format), Auto dock vina (for docking calculation) and discovery studio (for viewing the non-bonding interaction between the docked complexes). The calculated descriptors from the optimised 1,2,4-thiadiazole-1,2,4-triazole derivatives were EHOMO, ELUMO, Band gap (BG), Dipole moment, molecular weight, log P, HBD and HBA. The selected descriptors from the entire descriptors described well anti-epidermal growth factor receptor kinase properties of 1,2,4-thiadiazole-1,2,4-triazole derivatives. Also, the developed QSAR model was observed to be predictive via closeness between the experimental IC50 and the predicted IC50 as well as the correlation coefficient (0.971) and adjusted correlation coefficient (0.951). More so, the calculated binding showed that compound a (-10.5 kcal/mol) possess ability to inhibit epidermal growth factor receptor kinase than other studied compounds as well as Etoposide (Standard).