SCHEMBL4721017

SCHEMBL4721017

CCNc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)C)CC3)ncn2)c(F)c1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 10/20 0.58
FLT3 P36888 3/20 0.39
CDK2 P24941 3/20 0.39
CDK6 Q00534 1/20 0.39
ACACB O00763 5/20 0.36
CCNA2 P20248 1/20 0.35
CDK5 Q00535 1/20 0.35
CDK5R1 Q15078 1/20 0.35
CDK4 P11802 1/20 0.34
CYP2C9 P11712 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
SCHEMBL4719558 0.94 GPR119 (0.57) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4719427 0.90 GPR119 (0.59) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4718845 0.89 GPR119 (0.63) GPR119FLT3CDK2CDK6ACACB
SCHEMBL389521 0.89 GPR119 (0.73) GPR119CYP2C9
SCHEMBL4720557 0.87 GPR119 (0.61) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4720463 0.87 GPR119 (0.49) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4720782 0.86 GPR119 (0.58) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4722205 0.85 GPR119 (0.59) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4721558 0.85 GPR119 (0.53) GPR119FLT3CDK2CDK6ACACB
SCHEMBL4721951 0.85 GPR119 (0.58) GPR119CDK2CCNA2CDK5CDK5R1

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