SCHEMBL8150558

SCHEMBL8150558

C=CC(=O)Oc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.76
ERBB2 P04626 7/20 0.76
KDR P35968 1/20 0.61
TEK Q02763 1/20 0.61
FYN P06241 5/20 0.61
SRC P12931 5/20 0.61
VCP P55072 1/20 0.58
RIPK2 O43353 1/20 0.56
EPHB2 P29323 1/20 0.56
ERBB4 Q15303 2/20 0.53
JAK3 P52333 1/20 0.53
MAPT P10636 1/20 0.52
GRM1 Q13255 1/20 0.52
BTK Q06187 1/20 0.50

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
SCHEMBL8149145 0.91 EGFR (0.66) EGFRERBB2KDRTEKFYN
SCHEMBL8154615 0.88 EGFR (0.77) EGFRERBB2FYNSRCVCP
SCHEMBL7239977 0.86 EGFR (1.00) EGFRERBB2FYNSRCVCP
SCHEMBL8488797 0.85 EGFR (0.61) EGFRERBB2KDRTEKFYN
SCHEMBL4191995 0.82 EGFR (0.69) EGFRERBB2FYNSRCERBB4
SCHEMBL7242226 0.80 EGFR (0.66) EGFRERBB2KDRTEKFYN
SCHEMBL8486257 0.80 RAF1 (0.55) EGFRERBB2FYNSRCRIPK2
SCHEMBL7237980 0.80 EGFR (0.84) EGFRERBB2KDRTEKFYN
SCHEMBL7238227 0.80 EGFR (0.68) EGFRERBB2KDRTEKFYN
SCHEMBL7242229 0.80 EGFR (0.65) EGFRERBB2KDRTEKFYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6127374-A AN ENZYME INHIBITOR FOR TREATING CANCER, RESTENOSIS, ATHEROSCLEROSIS, ENDOMETRIOSIS AND PSORIASIS WARNER-LAMBERT COMPANY (US) 2000-10-03 US claimed
WO-1999006378-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-02-11 WO claimed