SCHEMBL4724082

SCHEMBL4724082

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cccc(F)c2F)ncn1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.38
GPR119 Q8TDV5 3/20 0.35
ACACB O00763 2/20 0.35
FGFR4 P22455 1/20 0.34
AURKA O14965 2/20 0.34
LCK P06239 2/20 0.33
KDR P35968 1/20 0.33
CDK4 P11802 1/20 0.33
MPL P40238 1/20 0.33
SCN9A Q15858 1/20 0.33
CACNA1H O95180 1/20 0.33
ABL1 P00519 1/20 0.32
PTK6 Q13882 1/20 0.32

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
SCHEMBL4718652 0.94 TBK1 (0.39) TBK1GPR119ACACBFGFR4LCK
SCHEMBL4723214 0.92 ERBB2 (0.39) TBK1LCKPTK6
SCHEMBL4723287 0.91 TBK1 (0.39) TBK1GPR119ACACBFGFR4LCK
SCHEMBL4722370 0.90 TBK1 (0.39) TBK1GPR119ACACBFGFR4CDK4
SCHEMBL4719875 0.89 MKNK1 (0.39) TBK1GPR119ACACBKDRCDK4
SCHEMBL391649 0.89 GPR119 (0.46) TBK1GPR119
SCHEMBL4763290 0.88 TBK1 (0.40) TBK1GPR119ACACBLCKCDK4
SCHEMBL4723185 0.87 TBK1 (0.38) TBK1GPR119ACACBKDRABL1
SCHEMBL4724030 0.87 KDR (0.39) TBK1FGFR4LCKKDRABL1
SCHEMBL4720580 0.86 TBK1 (0.37) TBK1GPR119ACACBKDRCACNA1H

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