SCHEMBL6382003

SCHEMBL6382003

COc1ccc2c(Nc3cc(Br)c(O)c(Br)c3)c(C#N)cnc2c1OC

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
EGFR P00533 11/20 0.52
SRC P12931 9/20 0.52
GAK O14976 2/20 0.52
ERBB2 P04626 10/20 0.52
MAP2K1 Q02750 2/20 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
SCHEMBL6383091 0.88 EGFR (0.53) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6386079 0.88 EGFR (0.67) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6380694 0.87 EGFR (0.70) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6382800 0.85 EGFR (0.56) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6384299 0.84 EGFR (0.69) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6381073 0.84 EGFR (0.69) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6386187 0.83 EGFR (0.69) EGFRGAKERBB2
SCHEMBL6381517 0.82 EGFR (0.53) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6382227 0.82 EGFR (0.70) EGFRSRCGAKERBB2MAP2K1
SCHEMBL6379913 0.81 EGFR (0.65) EGFRSRCGAKERBB2MAP2K1

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