SCHEMBL7239777

SCHEMBL7239777

O=C(/C=C/Cl)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.78

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EGFR P00533 15/20 0.78
ERBB2 P04626 6/20 0.78
FYN P06241 4/20 0.64
SRC P12931 4/20 0.64
JAK3 P52333 2/20 0.62
ERBB4 Q15303 2/20 0.62
VCP P55072 1/20 0.60
KDR P35968 1/20 0.58
TEK Q02763 1/20 0.58
RIPK2 O43353 1/20 0.53
EPHB2 P29323 1/20 0.53

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
SCHEMBL7239782 1.00 EGFR (0.78) EGFRERBB2FYNSRCJAK3
SCHEMBL7235049 0.91 EGFR (0.79) EGFRERBB2FYNSRCJAK3
SCHEMBL7235041 0.91 EGFR (0.79) EGFRERBB2FYNSRCJAK3
SCHEMBL7243002 0.90 EGFR (0.78) EGFRERBB2FYNSRCJAK3
SCHEMBL7243000 0.90 EGFR (0.78) EGFRERBB2FYNSRCJAK3
SCHEMBL7233367 0.89 EGFR (0.76) EGFRERBB2FYNSRCJAK3
SCHEMBL7233378 0.89 EGFR (0.76) EGFRERBB2FYNSRCJAK3
SCHEMBL7236335 0.88 EGFR (0.79) EGFRERBB2FYNSRCERBB4
SCHEMBL7236326 0.88 EGFR (0.79) EGFRERBB2FYNSRCERBB4
SCHEMBL7243201 0.88 EGFR (0.76) EGFRERBB2JAK3ERBB4KDR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed
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