SCHEMBL16620240

SCHEMBL16620240

CNc1nccc(N2CC[C@H](NC(=O)Nc3ccc(CN4CCC4)c(C(F)(F)F)c3)C2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 19/20 1.00
CCNC P24863 18/20 1.00
BPTF Q12830 1/20 0.51

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
SCHEMBL16620123 1.00 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16629091 0.98 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16619957 0.98 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16629094 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16620059 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16619898 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16629092 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16619894 0.93 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL16619896 0.93 CDK8 (1.00) CDK8CCNCBPTF
SCHEMBL23815621 0.90 CDK8 (0.93) CDK8CCNC

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 disclosed
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