SCHEMBL16629094

SCHEMBL16629094

CCN1CCN(Cc2ccc(NC(=O)N[C@H]3CCN(c4ccnc(NC)n4)C3)cc2C(F)(F)F)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 18/20 1.00
CCNC P24863 17/20 1.00
RET P07949 1/20 0.58
MAP3K7 O43318 1/20 0.55
MAP4K2 Q12851 1/20 0.55
MAPK14 Q16539 1/20 0.55
MAP3K20 Q9NYL2 1/20 0.55

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
SCHEMBL16620059 1.00 CDK8 (1.00) CDK8CCNCRETMAP3K7MAP4K2
SCHEMBL16629092 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16619898 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16619957 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16629091 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16620240 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16620123 0.94 CDK8 (1.00) CDK8CCNC
SCHEMBL16619896 0.92 CDK8 (1.00) CDK8CCNC
SCHEMBL16619894 0.92 CDK8 (1.00) CDK8CCNC
SCHEMBL16620011 0.89 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 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