SCHEMBL28567196

SCHEMBL28567196

Cn1ncc([N+](=O)[O-])c1N1CC[C@H](NC(=O)OC(C)(C)C)C1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.44
CTSK P43235 2/20 0.43
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
BTK Q06187 2/20 0.42
JAK3 P52333 1/20 0.42
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KDM4D Q6B0I6 1/20 0.40
DPP4 P27487 1/20 0.40
DRD2 P14416 1/20 0.40
MAP4K4 O95819 2/20 0.39
SUV39H2 Q9H5I1 4/20 0.39
MET P08581 1/20 0.39

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
SCHEMBL16522624 0.94 BTK (0.49) PDE10ABTKJAK3DPP4MAP4K4
SCHEMBL14801041 0.91 CKS1B (0.40) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14800474 0.91 CKS1B (0.39) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL16522623 0.90 CKS1B (0.46) PDE10ACKS1BSKP1SKP2BTK
SCHEMBL14800564 0.90 CKS1B (0.39) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14800700 0.88 CKS1B (0.40) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14801270 0.88 CKS1B (0.40) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14801390 0.88 CKS1B (0.40) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14800510 0.88 CKS1B (0.40) PDE10ACTSKCKS1BSKP1SKP2
SCHEMBL14802960 0.87 CKS1B (0.39) PDE10ACTSKCKS1BSKP1SKP2

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
CN-108373476-B Kinase inhibitor and preparation and application thereof 成都地奥制药集团有限公司 2021-06-01 CN disclosed