SCHEMBL4719749

SCHEMBL4719749

Cc1ccc(Nc2cc(OC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 9/20 0.45
FLT3 P36888 3/20 0.38
CDK2 P24941 2/20 0.38
CDK6 Q00534 1/20 0.38
S1PR1 P21453 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
EGFR P00533 1/20 0.34
MKNK2 Q9HBH9 1/20 0.34
IKBKE Q14164 1/20 0.34
TBK1 Q9UHD2 1/20 0.34
ACACB O00763 1/20 0.34
AURKA O14965 1/20 0.33
CCNA2 P20248 1/20 0.33
TTK P33981 1/20 0.33

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
SCHEMBL4723041 0.88 GPR119 (0.55) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL4719883 0.88 GPR119 (0.51) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL391509 0.88 GPR119 (0.54) GPR119IKBKETBK1
SCHEMBL4723673 0.85 GPR119 (0.51) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL4721934 0.85 GPR119 (0.51) GPR119FLT3CDK2CDK6EGFR
SCHEMBL4721912 0.83 GPR119 (0.38) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL13685341 0.83 GPR119 (0.53) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL4719405 0.83 GPR119 (0.48) GPR119FLT3CDK2CDK6
SCHEMBL4720455 0.82 GPR119 (0.42) GPR119FLT3CDK2CDK6S1PR1
SCHEMBL4719099 0.82 GPR119 (0.37) GPR119FLT3CDK2CDK6S1PR1

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