SCHEMBL16620029

SCHEMBL16620029

CC(C)(C)OC(=O)N[C@H]1CCN(c2ccc3nncn3n2)C1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK8 P49336 3/20 0.57
CCNC P24863 2/20 0.56
RXFP1 Q9HBX9 1/20 0.51
PDE10A Q9Y233 1/20 0.48
MAP4K4 O95819 2/20 0.47
DPP4 P27487 1/20 0.47
SUV39H2 Q9H5I1 5/20 0.46
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
PIM1 P11309 1/20 0.45
PIM3 Q86V86 1/20 0.45
PIM2 Q9P1W9 1/20 0.45
CKS1B P61024 1/20 0.45
SKP1 P63208 1/20 0.45
SKP2 Q13309 1/20 0.45
CTSS P25774 1/20 0.44
JAK3 P52333 1/20 0.44
BTK Q06187 1/20 0.44
SYK P43405 1/20 0.43

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
SCHEMBL18933448 0.79 MAP4K4 (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3
SCHEMBL18890155 0.79 MAP4K4 (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3
SCHEMBL15272489 0.79 MAP4K4 (0.49) PDE10AMAP4K4SUV39H2CKS1BSKP1
SCHEMBL15272486 0.79 MAP4K4 (0.49) PDE10AMAP4K4SUV39H2CKS1BSKP1
SCHEMBL17296051 0.78 MEN1 (0.55) PDE10AMAP4K4SUV39H2CKS1BSKP1
SCHEMBL17296049 0.78 MEN1 (0.55) PDE10AMAP4K4SUV39H2CKS1BSKP1
SCHEMBL25888902 0.78 SUV39H2 (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3
SCHEMBL17295997 0.78 PDE10A (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3
SCHEMBL18933447 0.78 PDE10A (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3
SCHEMBL18890144 0.78 PDE10A (0.52) PDE10AMAP4K4SUV39H2PIM1PIM3

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 2 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
US-20150045255-A1 Endometrial Phase or Endometrial Cancer Biomarkers WALFISH, PAUL (CA) 2015-02-12 US disclosed