SCHEMBL6380694

SCHEMBL6380694

COc1ccc2c(Nc3ccc(C)c(Br)c3)c(C#N)cnc2c1OC

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 12/20 0.70
ERBB2 P04626 11/20 0.70
SRC P12931 7/20 0.53
GAK O14976 2/20 0.49
MAP2K1 Q02750 3/20 0.47

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
SCHEMBL6384318 0.88 EGFR (0.70) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6381517 0.88 EGFR (0.53) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6381073 0.87 EGFR (0.69) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6382003 0.87 EGFR (0.52) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6379913 0.85 EGFR (0.65) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6386187 0.84 EGFR (0.69) EGFRERBB2GAK
SCHEMBL6379771 0.84 SRC (0.61) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6382800 0.84 EGFR (0.56) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6383091 0.83 EGFR (0.53) EGFRERBB2SRCGAKMAP2K1
SCHEMBL6380692 0.82 EGFR (1.00) EGFRERBB2SRCGAKMAP2K1

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-1263503-B1 USE OF CYANOQUINOLINES FOR TREATING OR INHIBITING COLONIC POLYPS WYETH CORP (US) 2005-11-02 EP claimed
EP-0973746-B1 SUBSTITUTED 3-CYANO QUINOLINES WYETH CORP (US) 2003-09-24 EP claimed