SCHEMBL4723673

SCHEMBL4723673

COc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(C)n1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 12/20 0.51
FLT3 P36888 3/20 0.36
CDK2 P24941 1/20 0.36
CDK6 Q00534 1/20 0.36
CYP2C9 P11712 2/20 0.36
KCNH2 Q12809 1/20 0.36
IKBKE Q14164 1/20 0.35
TBK1 Q9UHD2 1/20 0.35
PIK3CA P42336 1/20 0.34
MTOR P42345 1/20 0.34
PRKDC P78527 1/20 0.34
S1PR1 P21453 1/20 0.34
P2RX7 Q99572 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
SCHEMBL4719883 0.90 GPR119 (0.51) GPR119FLT3CDK2CDK6CYP2C9
SCHEMBL4719420 0.88 GPR119 (0.61) GPR119FLT3CDK2CDK6CYP2C9
SCHEMBL390253 0.88 GPR119 (0.60) GPR119CYP2C9KCNH2IKBKETBK1
SCHEMBL4719405 0.86 GPR119 (0.48) GPR119FLT3CDK2CDK6
SCHEMBL4719749 0.85 GPR119 (0.45) GPR119FLT3CDK2CDK6IKBKE
SCHEMBL4720714 0.84 GPR119 (0.40) GPR119FLT3CDK2CDK6
SCHEMBL4722024 0.83 GPR119 (0.40) GPR119IKBKETBK1
SCHEMBL4720455 0.82 GPR119 (0.42) GPR119FLT3CDK2CDK6PIK3CA
SCHEMBL4719081 0.81 GPR119 (0.48) GPR119FLT3CDK2CDK6
SCHEMBL4721934 0.81 GPR119 (0.51) 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