SCHEMBL28930757

SCHEMBL28930757

CC(C)(C)OC(=O)N[C@@H]1CCN(c2nc(Cl)ccc2C(F)(F)F)C1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
JAK3 P52333 1/20 0.46
BTK Q06187 1/20 0.46
SUV39H2 Q9H5I1 7/20 0.46
PIM1 P11309 1/20 0.46
PIM3 Q86V86 1/20 0.46
PIM2 Q9P1W9 1/20 0.46
SYK P43405 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
ITGB2 P05107 1/20 0.45
ICAM1 P05362 1/20 0.45
ITGAL P20701 1/20 0.45
TRPV1 Q8NER1 2/20 0.44
CTSK P43235 2/20 0.44
MAP4K4 O95819 1/20 0.44

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
SCHEMBL28930758 1.00 PDE10A (0.49) PDE10AJAK3BTKSUV39H2PIM1
SCHEMBL4476430 0.91 PDE10A (0.46) PDE10AJAK3BTKSUV39H2PIM1
SCHEMBL1351739 0.83 PDE10A (0.55) PDE10APIM1PIM3PIM2SYK
SCHEMBL1351743 0.83 PDE10A (0.55) PDE10APIM1PIM3PIM2SYK
SCHEMBL15401351 0.81 BTK (0.55) PDE10AJAK3BTKSUV39H2SYK
SCHEMBL3820924 0.80 CKS1B (0.53) PDE10AJAK3BTKSUV39H2SYK
SCHEMBL24166014 0.79 MAP4K4 (0.59) PDE10AJAK3BTKSUV39H2PIM1
SCHEMBL3929667 0.78 MAP4K4 (0.51) PDE10AJAK3BTKSUV39H2PIM1
SCHEMBL31124502 0.78 SUV39H2 (0.47) SUV39H2PIM1PIM3PIM2SYK
SCHEMBL28603266 0.78 SUV39H2 (0.47) SUV39H2PIM1PIM3PIM2SYK

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-115557946-A Heterocyclic lactam compound, pharmaceutical composition containing same and application thereof 四川科伦博泰生物医药股份有限公司 2023-01-03 CN disclosed