SCHEMBL6187130

SCHEMBL6187130

COCC(=O)NC(C)C#Cc1ccc2ncnc(Nc3ccc(Oc4ccc(C)nc4)c(C)c3)c2c1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.64
EGFR P00533 8/20 0.64
FECH P22830 1/20 0.64
CDK8 P49336 1/20 0.64
MAP2K5 Q13163 1/20 0.64
CDK19 Q9BWU1 1/20 0.64
MKNK2 Q9HBH9 1/20 0.64
HDAC1 Q13547 2/20 0.51
HDAC6 Q9UBN7 2/20 0.51
KCNH2 Q12809 3/20 0.49
ERBB3 P21860 1/20 0.49
ERBB4 Q15303 1/20 0.49

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
SCHEMBL6175105 0.91 ERBB2 (0.58) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174789 0.88 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618101 0.87 ERBB2 (0.75) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174985 0.85 ERBB2 (0.53) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4619310 0.84 ERBB2 (0.58) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4799621 0.84 ERBB2 (0.62) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6172167 0.84 ERBB2 (0.54) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176558 0.83 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174493 0.82 ERBB2 (0.58) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4616817 0.82 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