SCHEMBL4721322

SCHEMBL4721322

Cc1ncccc1Nc1cc(OC2CCN(OC(=O)OC(C)C)CC2)ncn1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.58
CYP2C9 P11712 3/20 0.41
FLT3 P36888 3/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
KCNH2 Q12809 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
SCHEMBL4723636 0.88 GPR119 (0.62) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4719405 0.88 GPR119 (0.48) GPR119FLT3CDK2CDK6
SCHEMBL389295 0.88 GPR119 (0.74) GPR119CYP2C9KCNH2
SCHEMBL4719420 0.86 GPR119 (0.61) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4721651 0.85 GPR119 (0.60) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4724133 0.85 GPR119 (0.51) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4723690 0.84 GPR119 (0.49) GPR119CYP2C9FLT3CDK2CDK6
SCHEMBL4723272 0.84 GPR119 (0.46) GPR119FLT3CDK2CDK6
SCHEMBL4723387 0.84 GPR119 (0.49) GPR119FLT3CDK2CDK6
SCHEMBL4721027 0.83 GPR119 (0.55) GPR119CYP2C9FLT3CDK2CDK6

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