SCHEMBL16620125

SCHEMBL16620125

CNc1nccc(N2CCC(NC(=O)O)C2)n1

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CCNC P24863 10/20 0.67
CDK8 P49336 10/20 0.67
HRH4 Q9H3N8 10/20 0.57
HRH3 Q9Y5N1 3/20 0.56

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
SCHEMBL16629154 0.84 CCNC (0.62) CCNCCDK8HRH4HRH3
SCHEMBL18228251 0.82 CCNC (0.53) CCNCCDK8HRH4HRH3
SCHEMBL27834290 0.82 CCNC (0.53) CCNCCDK8HRH4HRH3
SCHEMBL20445941 0.82 CCNC (0.57) CCNCCDK8HRH4HRH3
SCHEMBL16620510 0.82 CCNC (0.53) CCNCCDK8HRH4HRH3
SCHEMBL16620237 0.81 CDK8 (1.00) CCNCCDK8
SCHEMBL16629102 0.81 CDK8 (1.00) CCNCCDK8
SCHEMBL16620231 0.81 CDK8 (1.00) CCNCCDK8
SCHEMBL15360084 0.79 HRH4 (0.54) CCNCCDK8HRH4HRH3
SCHEMBL16622459 0.79 HRH4 (0.64) CCNCCDK8HRH4HRH3

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
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed