SCHEMBL4723183

SCHEMBL4723183

COc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)C)CC3)ncn2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 8/20 0.46
FLT3 P36888 3/20 0.40
CDK2 P24941 1/20 0.40
CDK6 Q00534 1/20 0.40
NAMPT P43490 4/20 0.39
ACACB O00763 2/20 0.38
EGFR P00533 2/20 0.37
BTK Q06187 1/20 0.37
ITK Q08881 1/20 0.37
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36

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
SCHEMBL4723224 0.92 GPR119 (0.46) GPR119FLT3CDK2CDK6NAMPT
SCHEMBL4721899 0.88 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4720714 0.88 GPR119 (0.40) GPR119FLT3CDK2CDK6NAMPT
SCHEMBL389671 0.88 GPR119 (0.60) GPR119NAMPT
SCHEMBL4720958 0.87 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723272 0.86 GPR119 (0.46) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4723387 0.85 GPR119 (0.49) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4722319 0.85 GPR119 (0.43) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4719420 0.84 GPR119 (0.61) GPR119FLT3CDK2CDK6
SCHEMBL4722464 0.84 GPR119 (0.60) GPR119

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