SCHEMBL6174754

SCHEMBL6174754

CC(=O)NC1(C#Cc2ccc3ncnc(Nc4ccc(Oc5ccc(C)nc5)c(C)c4)c3c2)CCC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.54
EGFR P00533 8/20 0.54
FECH P22830 1/20 0.52
CDK8 P49336 1/20 0.52
MAP2K5 Q13163 1/20 0.52
CDK19 Q9BWU1 1/20 0.52
MKNK2 Q9HBH9 1/20 0.52
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
KCNH2 Q12809 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
SCHEMBL6174439 0.97 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176558 0.91 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4798757 0.89 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618160 0.88 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4799621 0.88 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174286 0.86 ERBB2 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174169 0.84 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173921 0.83 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618008 0.83 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4616817 0.83 ERBB2 (0.58) 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