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Fig. 2 | Journal of Cheminformatics

Fig. 2

From: Data driven polypharmacological drug design for lung cancer: analyses for targeting ALK, MET, and EGFR

Fig. 2

The “activity homology” (AH) similarity measure [80] as applied to ALK, MET, and EGFR. a Fractions of the sets of tight binding compounds of a reference PK target that also tighly bind to the tested PK are plotted for the ca 400 PKs of the test set. The curves are color coded according to the reference PK “A”: black for ALK, red for Met, blue for EGFR, and yellow for the drug resistant mutant EGFR-(L858R, T790M), which is abbreviated EGFR-LR/TM on the plot. The PKs of the test set are ordered according to the AH with ALK. Thus, Met-M1250T has the highest ALK AH (black curve) of the three Met variants (45%), EGFR is low (<5%), while EGFR-(L858R, T790M) is relatively high (30%). RON has the highest AH to MET, while TAO1 has the highest AH with EGFR-LR/TM. The peaks with high homology to EGFR marked with an asterisk are EGFR mutants other than EGFR-LR/TM, and have high AH similarity to EGFR (but not EGFR-LR/TM). b The same data, shown as a heirarchically clustered heat map. The mutant labelled L858RT represents the EGFR-(L858R, T790M) mutant, and is more similar to Alk and Met than to the other EGFR forms

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