SCHEMBL4765405

SCHEMBL4765405

CC(C)(C)OC(=O)ON1CCC(Oc2cc(Nc3ccc(C#N)c(Cl)c3)ncn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDR P35968 2/20 0.44
TBK1 Q9UHD2 5/20 0.40
IKBKE Q14164 3/20 0.40
CNR2 P34972 1/20 0.38
GPR119 Q8TDV5 5/20 0.38
ERBB2 P04626 2/20 0.37
SCN9A Q15858 1/20 0.37
EGFR P00533 2/20 0.36
AR P10275 1/20 0.36
PGR P06401 1/20 0.35
CDK2 P24941 1/20 0.35
FLT3 P36888 1/20 0.35
CDK6 Q00534 1/20 0.35

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
SCHEMBL385936 0.89 GPR119 (0.50) KDRTBK1IKBKEGPR119
SCHEMBL4719349 0.85 GPR119 (0.46) TBK1IKBKEGPR119ARCDK2
SCHEMBL4723643 0.84 FLT3 (0.38) KDRGPR119EGFRCDK2FLT3
SCHEMBL4723304 0.82 GPR119 (0.42) KDRGPR119ERBB2CDK2FLT3
SCHEMBL4719350 0.81 GPR119 (0.40) GPR119SCN9ACDK2FLT3CDK6
SCHEMBL4723151 0.81 GPR119 (0.44) TBK1IKBKEGPR119CDK2CDK6
SCHEMBL4719882 0.81 ERBB2 (0.39) KDRTBK1IKBKEGPR119ERBB2
SCHEMBL4721904 0.81 TRPV1 (0.44) GPR119CDK2FLT3CDK6
SCHEMBL4720714 0.81 GPR119 (0.40) GPR119ERBB2EGFRCDK2FLT3
SCHEMBL4720846 0.81 GPR119 (0.41) KDRGPR119CDK2FLT3CDK6

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