SCHEMBL16619956

SCHEMBL16619956

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 19/20 1.00
CCNC P24863 18/20 1.00
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA4 P22748 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
TRPV1 Q8NER1 1/20 0.64

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
SCHEMBL16629089 1.00 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16619951 1.00 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620517 0.88 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620519 0.88 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16629099 0.88 CDK8 (1.00) CDK8CCNCCA12CA1CA2
SCHEMBL16620011 0.87 CDK8 (1.00) CDK8CCNC
SCHEMBL16620009 0.87 CDK8 (1.00) CDK8CCNC
SCHEMBL16629102 0.87 CDK8 (1.00) CDK8CCNC
SCHEMBL16620237 0.87 CDK8 (1.00) CDK8CCNC
SCHEMBL16620231 0.87 CDK8 (1.00) 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