SCHEMBL28660604

SCHEMBL28660604

COc1nnc(OC2CCN(C(=O)OC(C)(C)C)CC2)cc1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.53
PIK3CD O00329 2/20 0.50
PIK3CA P42336 1/20 0.50
PDE4B Q07343 3/20 0.48
PDE4A P27815 2/20 0.48
PDE4C Q08493 2/20 0.48
PDE4D Q08499 2/20 0.48
CACNB4 O00305 2/20 0.47
CACNA1A O00555 2/20 0.47
CACNA1G O43497 2/20 0.47
CACNG3 O60359 2/20 0.47
CACNA1F O60840 2/20 0.47
CACNA1H O95180 2/20 0.47
CACNB3 P54284 2/20 0.47
CACNA2D1 P54289 2/20 0.47
CACNG7 P62955 2/20 0.47
CACNA1B Q00975 2/20 0.47
CACNA1D Q01668 2/20 0.47
CACNB1 Q02641 2/20 0.47
CACNG1 Q06432 2/20 0.47

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
SCHEMBL2776764 0.83 GPR119 (0.69) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL21607236 0.82 GPR119 (0.48) GPR119PIK3CDPDE4BPDE4APDE4C
SCHEMBL21607019 0.80 GPR119 (0.59) GPR119PIK3CDPIK3CANPBWR1MCHR1
SCHEMBL23311676 0.79 GPR119 (0.53) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL29749146 0.79 GPR119 (0.66) GPR119NPBWR1MCHR1
SCHEMBL20137646 0.79 GPR119 (0.66) GPR119NPBWR1MCHR1
SCHEMBL20070242 0.78 PIK3CD (0.41) PIK3CDPIK3CA
SCHEMBL20137797 0.77 GPR119 (0.67) GPR119PDE4BPDE4APDE4CPDE4D
SCHEMBL29686112 0.76 GPR119 (0.60) GPR119PIK3CDPIK3CAPDE4B
SCHEMBL385907 0.76 PIK3CD (0.51) GPR119PIK3CDPIK3CACACNB4CACNA1A

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-110177786-B Substituted pyrazolo [1,5-A ] pyridine compounds as RET kinase inhibitors 阿雷生物药品公司 2021-12-14 CN disclosed