SCHEMBL4722994

SCHEMBL4722994

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

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.39
TBK1 Q9UHD2 1/20 0.37
JAK2 O60674 2/20 0.36
JAK1 P23458 2/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
FGFR3 P22607 1/20 0.36
CYP2C19 P33261 1/20 0.36
S1PR1 P21453 2/20 0.36
EPHX2 P34913 1/20 0.35
LIMK2 P53671 1/20 0.35
TNNI3K Q59H18 2/20 0.34
ACACB O00763 2/20 0.34
MPL P40238 1/20 0.34
CHKA P35790 1/20 0.34

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 0.92 GPR119 (0.46) GPR119TBK1S1PR1
SCHEMBL4721660 0.91 GPR119 (0.40) GPR119TBK1JAK2JAK1CYP3A4
SCHEMBL4721883 0.91 CDK1 (0.40) GPR119TBK1CYP3A4CYP2C9FGFR3
SCHEMBL4719878 0.90 TNNI3K (0.41) GPR119TBK1S1PR1LIMK2TNNI3K
SCHEMBL388932 0.89 GPR119 (0.50) GPR119TBK1JAK2JAK1LIMK2
SCHEMBL4720626 0.89 S1PR1 (0.42) GPR119TBK1CYP3A4CYP2C9FGFR3
SCHEMBL4723270 0.87 LCK (0.40) GPR119JAK2JAK1
SCHEMBL4719783 0.86 TBK1 (0.39) GPR119TBK1JAK2JAK1CYP3A4
SCHEMBL4718690 0.85 TBK1 (0.38) GPR119TBK1CYP3A4CYP2C9FGFR3
SCHEMBL27939280 0.85 GPR119 (0.44) GPR119TBK1CYP3A4CYP2C9FGFR3

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