SCHEMBL6173907

SCHEMBL6173907

COCCOCCC#Cc1ccc2ncnc(Nc3ccc(Oc4cccnc4)c(C)c3)c2c1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.54
EGFR P00533 8/20 0.45
FECH P22830 1/20 0.45
CDK8 P49336 1/20 0.45
MAP2K5 Q13163 1/20 0.45
CDK19 Q9BWU1 1/20 0.45
MKNK2 Q9HBH9 1/20 0.45
ERBB4 Q15303 1/20 0.44

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
SCHEMBL6175257 0.95 ERBB2 (0.56) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173049 0.93 ERBB2 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173008 0.89 ERBB2 (0.56) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175648 0.88 EGFR (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176629 0.88 ERBB2 (0.52) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172567 0.88 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176991 0.87 EGFR (0.51) ERBB2EGFRERBB4
SCHEMBL4619108 0.86 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL5081054 0.86 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174583 0.84 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1292591-B1 SUBSTITUTED BICYCLIC DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PROD INC (US) 2005-02-02 EP disclosed