A pharmacophore model has been developed using diverse classes of epidermal 
growth factor receptor (EGFR) tyrosine kinase (TK) inhibitors useful in the 
treatment of human tumours. Among the top 10 generated hypotheses, the second 
hypothesis, with one hydrogen bond acceptor, one ring aromatic and three 
hydrophobic features, was found to be the best on the basis of Cat Scramble 
validation as well as test set prediction (r(training) = 0.89, r(test) = 0.82). 
The model also maps well to the external test set molecules as well as 
clinically active molecules and corroborates the docking studies. Finally, 10 
hits were identified as potential leads after virtual screening of ZINC database 
for EGFR TK inhibition. The study may facilitate the designing and discovery of 
novel EGFR TK inhibitors.