SCHEMBL16620602

SCHEMBL16620602

CC(C)(C)OC(=O)NC1CCN(c2ccnc(N)n2)C1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.59
PDE10A Q9Y233 2/20 0.54
CCNC P24863 1/20 0.54
CDK8 P49336 1/20 0.54
CKS1B P61024 1/20 0.52
SKP1 P63208 1/20 0.52
SKP2 Q13309 1/20 0.52
AURKA O14965 3/20 0.51
PDPK1 O15530 3/20 0.51
AURKB Q96GD4 3/20 0.51
SYK P43405 1/20 0.51
SUV39H2 Q9H5I1 6/20 0.50
BTK Q06187 3/20 0.50
JAK3 P52333 1/20 0.50

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
SCHEMBL16620599 1.00 MAP4K4 (0.59) MAP4K4PDE10ACCNCCDK8CKS1B
SCHEMBL3780868 0.93 CKS1B (0.59) MAP4K4PDE10ACCNCCDK8CKS1B
SCHEMBL18228315 0.88 PDE10A (0.55) MAP4K4PDE10ACCNCCDK8CKS1B
SCHEMBL28219652 0.87 JAK3 (0.55) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL1588740 0.87 JAK3 (0.55) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL16629090 0.87 JAK3 (0.55) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL16629154 0.86 CCNC (0.62) MAP4K4PDE10ACCNCCDK8
SCHEMBL110191 0.83 MAP4K4 (0.62) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL2142278 0.83 MAP4K4 (0.62) MAP4K4PDE10ACKS1BSKP1SKP2
SCHEMBL2142039 0.83 MAP4K4 (0.62) MAP4K4PDE10ACKS1BSKP1SKP2

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
EP-3355699-B1 BICYCLIC COMPOUND AND USE THEREOF FOR INHIBITING SUV39H2 ONCOTHERAPY SCIENCE INC (JP) 2021-03-31 EP 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