SCHEMBL6175161

SCHEMBL6175161

Cc1cc(Nc2ncnc3ccc(/C=C/CNS(C)(=O)=O)cc23)ccc1Oc1cccnc1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 15/20 0.61
EGFR P00533 12/20 0.61
FECH P22830 1/20 0.61
CDK8 P49336 1/20 0.61
MAP2K5 Q13163 1/20 0.61
CDK19 Q9BWU1 1/20 0.61
MKNK2 Q9HBH9 1/20 0.61
ERBB4 Q15303 2/20 0.42
ERBB3 P21860 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
KCNH2 Q12809 2/20 0.39

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
SCHEMBL6175168 1.00 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618515 0.91 ERBB2 (0.73) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4618513 0.91 ERBB2 (0.73) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617501 0.88 EGFR (0.60) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617504 0.88 EGFR (0.60) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177836 0.88 ERBB2 (0.69) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6177828 0.88 ERBB2 (0.69) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL6176588 0.87 ERBB2 (0.59) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617814 0.87 ERBB2 (0.61) ERBB2EGFRFECHCDK8MAP2K5
SCHEMBL4617817 0.87 ERBB2 (0.61) 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