SCHEMBL8580434

SCHEMBL8580434

O=C(O)CC=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2c1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 20/20 0.72
ERBB2 P04626 11/20 0.72
ERBB4 Q15303 6/20 0.64
JAK3 P52333 3/20 0.58
AURKB Q96GD4 1/20 0.57

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
SCHEMBL4190264 1.00 EGFR (0.72) EGFRERBB2ERBB4JAK3AURKB
SCHEMBL4184896 0.89 EGFR (0.78) EGFRERBB2ERBB4JAK3
SCHEMBL2994028 0.84 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL31605602 0.84 EGFR (1.00) EGFRERBB2ERBB4
SCHEMBL7058784 0.82 EGFR (0.80) EGFRERBB2ERBB4JAK3
SCHEMBL12936070 0.81 EGFR (0.61) EGFRERBB2ERBB4JAK3
SCHEMBL12936101 0.81 EGFR (0.63) EGFRERBB2ERBB4JAK3
SCHEMBL2988824 0.80 EGFR (0.67) EGFRERBB2ERBB4JAK3AURKB
SCHEMBL2988823 0.80 EGFR (0.67) EGFRERBB2ERBB4JAK3AURKB
SCHEMBL27923377 0.80 EGFR (0.75) EGFRERBB2ERBB4AURKB

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
EP-0892789-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1999-01-27 EP claimed
WO-1997038983-A1 IRREVERSIBLE INHIBITORS OF TYROSINE KINASES WARNER-LAMBERT COMPANY (US) 1997-10-23 WO claimed