SCHEMBL6176502

SCHEMBL6176502

CC(=O)NCC#Cc1cc2c(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)ncnc2cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 14/20 0.55
EGFR P00533 12/20 0.55
FECH P22830 1/20 0.55
CDK8 P49336 1/20 0.55
MAP2K5 Q13163 1/20 0.55
CDK19 Q9BWU1 1/20 0.55
MKNK2 Q9HBH9 1/20 0.55
ERBB3 P21860 1/20 0.53
ERBB4 Q15303 1/20 0.53
HDAC1 Q13547 2/20 0.49
HDAC6 Q9UBN7 2/20 0.49
KCNH2 Q12809 3/20 0.48

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
SCHEMBL6176860 0.95 EGFR (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173544 0.91 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4801631 0.88 ERBB2 (0.56) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175059 0.88 HDAC3 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618008 0.87 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4616858 0.84 EGFR (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174284 0.83 ERBB2 (0.67) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172430 0.81 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176049 0.81 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174433 0.80 ERBB2 (0.57) 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