SCHEMBL4722133

SCHEMBL4722133

CC(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(C#N)cn3)ncn2)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 7/20 0.46
IRAK4 Q9NWZ3 7/20 0.44
IKBKE Q14164 1/20 0.41
TBK1 Q9UHD2 1/20 0.41
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
KCNH2 Q12809 1/20 0.39
DPP4 P27487 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
CDK2 P24941 2/20 0.38
FLT3 P36888 1/20 0.38
CDK6 Q00534 1/20 0.38
CCNE1 P24864 1/20 0.38
HSF1 Q00613 1/20 0.38

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
SCHEMBL391546 0.88 GPR119 (0.59) GPR119IRAK4
SCHEMBL4719041 0.87 GPR119 (0.51) GPR119HCRTR1HCRTR2CDK2FLT3
SCHEMBL4721951 0.87 GPR119 (0.58) GPR119IRAK4CDK2
SCHEMBL4719015 0.86 GPR119 (0.46) GPR119IKBKETBK1CDK2FLT3
SCHEMBL4723727 0.85 GPR119 (0.47) GPR119IKBKETBK1
SCHEMBL4721992 0.83 GPR119 (0.43) GPR119CDK2FLT3CDK6CCNE1
SCHEMBL4723387 0.81 GPR119 (0.49) GPR119CDK2FLT3CDK6
SCHEMBL4722086 0.81 GPR119 (0.43) GPR119IKBKETBK1JAK2
SCHEMBL4723713 0.81 GPR119 (0.53) GPR119CDK2FLT3CDK6
SCHEMBL4723272 0.80 GPR119 (0.46) GPR119CDK2FLT3CDK6

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