SCHEMBL6174493

SCHEMBL6174493

Cc1ccc(Oc2ccc(Nc3ncnc4ccc(C#CCNC(=O)NC(C)C)cc34)cc2C)cn1

nearest known ligand 0.58

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 18/20 0.58
EGFR P00533 8/20 0.56
FECH P22830 1/20 0.56
CDK8 P49336 1/20 0.56
MAP2K5 Q13163 1/20 0.56
CDK19 Q9BWU1 1/20 0.56
MKNK2 Q9HBH9 1/20 0.56
HDAC1 Q13547 2/20 0.52
HDAC6 Q9UBN7 2/20 0.52
KCNH2 Q12809 3/20 0.51
ERBB3 P21860 1/20 0.50
ERBB4 Q15303 1/20 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
SCHEMBL6175244 0.94 ERBB2 (0.57) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175737 0.94 ERBB2 (0.56) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175551 0.93 ERBB2 (0.57) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6173292 0.93 EGFR (0.52) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617460 0.91 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177023 0.91 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176120 0.91 ERBB2 (0.55) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174475 0.90 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6175496 0.90 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6174007 0.90 ERBB2 (0.59) 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