SCHEMBL4720846

SCHEMBL4720846

CC(C)(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(F)nc3)ncn2)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.41
FLT3 P36888 3/20 0.38
CDK2 P24941 1/20 0.38
CDK6 Q00534 1/20 0.38
MAPK8 P45983 1/20 0.35
MAPK10 P53779 1/20 0.35
MAPK14 Q16539 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
KDR P35968 1/20 0.34
S1PR1 P21453 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
SCHEMBL4720714 0.90 GPR119 (0.40) GPR119FLT3CDK2CDK6
SCHEMBL4723643 0.90 FLT3 (0.38) GPR119FLT3CDK2CDK6KDR
SCHEMBL4721923 0.88 GPR119 (0.39) GPR119FLT3CDK2CDK6KDR
SCHEMBL388816 0.88 GPR119 (0.49) GPR119JAK2JAK1
SCHEMBL4719349 0.87 GPR119 (0.46) GPR119FLT3CDK2CDK6JAK2
SCHEMBL4723304 0.87 GPR119 (0.42) GPR119FLT3CDK2CDK6KDR
SCHEMBL4719852 0.87 GPR119 (0.41) GPR119FLT3CDK2CDK6JAK2
SCHEMBL4721657 0.85 KDR (0.41) GPR119MAPK14KDR
SCHEMBL4718549 0.84 GPR119 (0.46) GPR119FLT3CDK2CDK6KDR
SCHEMBL4720662 0.83 PIK3CA (0.42) GPR119FLT3CDK2CDK6

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