SCHEMBL16620056

SCHEMBL16620056

CNc1nccc(N2CCC(NC(=O)Nc3ccc(CN4CCC4)c(F)c3)C2)n1

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 19/20 0.81
CCNC P24863 18/20 0.81
BPTF Q12830 1/20 0.54

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
SCHEMBL16629087 1.00 CDK8 (0.81) CDK8CCNCBPTF
SCHEMBL16629088 0.91 CDK8 (0.80) CDK8CCNCBPTF
SCHEMBL16620147 0.91 CDK8 (0.80) CDK8CCNCBPTF
SCHEMBL16620123 0.90 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16620240 0.90 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16629091 0.88 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16619957 0.88 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16620595 0.87 CDK8 (0.73) CDK8CCNCBPTF
SCHEMBL16629096 0.87 CDK8 (0.73) CDK8CCNCBPTF
SCHEMBL16629104 0.85 CDK8 (0.81) CDK8CCNCBPTF

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 3 patents. 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 claimed
WO-2015049325-A1 THERAPEUTIC INHIBITORS OF CDK8 AND USES THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2015-04-09 WO disclosed
US-20150045255-A1 Endometrial Phase or Endometrial Cancer Biomarkers WALFISH, PAUL (CA) 2015-02-12 US disclosed