SCHEMBL7243799

SCHEMBL7243799

C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Sc4ncc[nH]4)c(Cl)c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.64
ERBB2 P04626 6/20 0.64
FYN P06241 7/20 0.58
SRC P12931 7/20 0.58
ERBB4 Q15303 3/20 0.58
BLK P51451 1/20 0.58
BMX P51813 1/20 0.58
JAK3 P52333 1/20 0.58
BTK Q06187 1/20 0.58
VCP P55072 1/20 0.55

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7233748 0.93 EGFR (0.60) EGFRERBB2FYNSRCERBB4
SCHEMBL8156590 0.81 EGFR (0.47) EGFRERBB2FYNSRC
SCHEMBL2994028 0.79 EGFR (1.00) EGFRERBB2FYNSRCERBB4
SCHEMBL31605602 0.79 EGFR (1.00) EGFRERBB2FYNSRCERBB4
SCHEMBL7237990 0.78 EGFR (0.44) EGFRERBB2SRC
SCHEMBL8490631 0.77 EGFR (0.55) EGFRERBB2FYNSRCERBB4
SCHEMBL7237992 0.77 EGFR (0.44) EGFRERBB2
SCHEMBL2986894 0.76 EGFR (1.00) EGFRERBB2FYNSRCERBB4
SCHEMBL7127185 0.75 EGFR (1.00) EGFRERBB2FYNSRCERBB4
Hydrochloric Acid SCHEMBL3000541 0.75 EGFR (0.98) EGFRERBB2FYNSRCERBB4

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6562818-B1 For treating cancer, atherosclerosis, restenosis, endometriosis, and psoriasis WARNER-LAMBERT COMPANY 2003-05-13 US disclosed
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US disclosed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO disclosed