SCHEMBL4721660

SCHEMBL4721660

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(S(=O)(=O)N(C)C)cc2)ncn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.40
TBK1 Q9UHD2 1/20 0.38
S1PR1 P21453 3/20 0.37
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
CDK1 P06493 2/20 0.36
CDK2 P24941 2/20 0.36
LIMK2 P53671 1/20 0.36
CCNB2 O95067 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
FGFR3 P22607 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL4721914 0.94 GPR119 (0.46) GPR119TBK1S1PR1
SCHEMBL4721883 0.92 CDK1 (0.40) GPR119TBK1S1PR1CDK1CDK2
SCHEMBL4719878 0.91 TNNI3K (0.41) GPR119TBK1S1PR1LIMK2
SCHEMBL4722994 0.91 GPR119 (0.39) GPR119TBK1S1PR1JAK1JAK2
SCHEMBL4720626 0.90 S1PR1 (0.42) GPR119TBK1S1PR1LIMK2CYP3A4
SCHEMBL385723 0.89 GPR119 (0.51) GPR119TBK1JAK1JAK2LIMK2
SCHEMBL4723270 0.89 LCK (0.40) GPR119JAK1JAK2KDM4EL3MBTL1
SCHEMBL4718690 0.87 TBK1 (0.38) GPR119TBK1S1PR1CYP3A4CYP2C9
SCHEMBL27939280 0.86 GPR119 (0.44) GPR119TBK1S1PR1CYP3A4CYP2C9
SCHEMBL4723148 0.86 GPR119 (0.41) GPR119TBK1S1PR1CYP3A4CYP2C9

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
EP-1756084-B1 SUBSTITUTED ARYL AND HETEROARYL DERIVATIVES AS MODULATORS OF METABOLISM AND THE PROPHYLAXIS AND TREATMENT OF DISORDERS RELATED THERETO ARENA PHARM INC (US) 2008-11-26 EP claimed