SCHEMBL6176629

SCHEMBL6176629

Cc1cc(Nc2ncnc3ccc(C#CCCN)cc23)ccc1Oc1cccnc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERBB2 P04626 11/20 0.52
EGFR P00533 11/20 0.47
ERBB4 Q15303 2/20 0.45
ERBB3 P21860 1/20 0.44
FECH P22830 1/20 0.44
CDK8 P49336 1/20 0.44
MAP2K5 Q13163 1/20 0.44
CDK19 Q9BWU1 1/20 0.44
MKNK2 Q9HBH9 1/20 0.44
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC2 Q92769 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL5081054 0.93 ERBB2 (0.53) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6175648 0.92 EGFR (0.55) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6175257 0.91 ERBB2 (0.56) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6175165 0.90 EGFR (0.55) ERBB2EGFRERBB4ERBB3HDAC3
SCHEMBL4619108 0.90 ERBB2 (0.55) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6173008 0.89 ERBB2 (0.56) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6173907 0.88 ERBB2 (0.54) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6176981 0.88 ERBB2 (0.55) ERBB2EGFRERBB4ERBB3FECH
SCHEMBL6174583 0.88 ERBB2 (0.55) ERBB2EGFRERBB4FECHCDK8
SCHEMBL6483391 0.87 ERBB2 (0.49) ERBB2EGFRERBB4ERBB3FECH

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