SCHEMBL4720573

SCHEMBL4720573

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(C#N)cc2F)ncn1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 13/20 0.48
IRAK4 Q9NWZ3 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
AAK1 Q2M2I8 1/20 0.38
TBK1 Q9UHD2 1/20 0.38
GPR6 P46095 1/20 0.35
SLC34A1 Q06495 1/20 0.35
EGLN2 Q96KS0 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
SCHEMBL4719394 0.91 GPR119 (0.39) GPR119IRAK4AAK1TBK1SLC34A1
SCHEMBL4719875 0.91 MKNK1 (0.39) GPR119CDK2TBK1
SCHEMBL4719029 0.90 GPR119 (0.40) GPR119IRAK4CCNA2CDK2CDK5
SCHEMBL389989 0.89 GPR119 (0.61) GPR119IRAK4CCNA2CDK2CDK5
SCHEMBL4723185 0.89 TBK1 (0.38) GPR119TBK1
SCHEMBL4719508 0.89 GPR119 (0.41) GPR119IRAK4CCNA2CDK2CDK5
SCHEMBL4724482 0.89 GPR119 (0.38) GPR119CCNA2CDK2CDK5CDK5R1
SCHEMBL4724030 0.89 KDR (0.39) IRAK4TBK1
SCHEMBL4723049 0.88 GPR119 (0.39) GPR119IRAK4CCNA2CDK2CDK5
SCHEMBL4718652 0.88 TBK1 (0.39) GPR119CCNA2CDK2CDK5CDK5R1

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