SCHEMBL16629154

SCHEMBL16629154

CNc1nccc(N2CC[C@H](NC(=O)OC(C)(C)C)C2)n1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CCNC P24863 11/20 0.62
CDK8 P49336 11/20 0.62
PDE10A Q9Y233 1/20 0.54
HRH4 Q9H3N8 6/20 0.53
HRH3 Q9Y5N1 3/20 0.53
MAP4K4 O95819 2/20 0.53

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
SCHEMBL18228315 0.87 PDE10A (0.55) CCNCCDK8PDE10AHRH4HRH3
SCHEMBL1587934 0.86 HRH4 (0.67) CCNCCDK8PDE10AHRH4HRH3
SCHEMBL28219652 0.86 JAK3 (0.55) PDE10AMAP4K4
SCHEMBL16620602 0.86 MAP4K4 (0.59) CCNCCDK8PDE10AMAP4K4
SCHEMBL16620599 0.86 MAP4K4 (0.59) CCNCCDK8PDE10AMAP4K4
SCHEMBL1588740 0.86 JAK3 (0.55) PDE10AMAP4K4
SCHEMBL16629090 0.86 JAK3 (0.55) PDE10AMAP4K4
SCHEMBL16620125 0.84 CCNC (0.67) CCNCCDK8HRH4HRH3
SCHEMBL18228321 0.81 GPR119 (0.59) CCNCCDK8PDE10AMAP4K4
SCHEMBL7239787 0.81 SYK (0.56) PDE10AMAP4K4

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