SCHEMBL4722370

SCHEMBL4722370

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(F)cc(F)c2F)ncn1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 7/20 0.39
ACACB O00763 3/20 0.34
GPR119 Q8TDV5 4/20 0.33
CACNA1H O95180 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR4 P22455 1/20 0.32
RIPK1 Q13546 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
CDK4 P11802 1/20 0.31
CDK2 P24941 1/20 0.31

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
SCHEMBL4763290 0.91 TBK1 (0.40) TBK1ACACBGPR119CACNA1HHTR2A
SCHEMBL4724082 0.90 TBK1 (0.38) TBK1ACACBGPR119CACNA1HFGFR4
SCHEMBL4719875 0.90 MKNK1 (0.39) TBK1ACACBGPR119HTR2AHTR2C
SCHEMBL389867 0.89 TBK1 (0.46) TBK1GPR119
SCHEMBL4718652 0.89 TBK1 (0.39) TBK1ACACBGPR119CACNA1HFGFR4
SCHEMBL4720580 0.88 TBK1 (0.37) TBK1ACACBGPR119CACNA1H
SCHEMBL4723185 0.87 TBK1 (0.38) TBK1ACACBGPR119FGFR1
SCHEMBL4724030 0.86 KDR (0.39) TBK1FGFR1FGFR4HTR2ASLC6A4
SCHEMBL4723287 0.86 TBK1 (0.39) TBK1ACACBGPR119CACNA1HFGFR4
SCHEMBL4722378 0.86 TBK1 (0.37) TBK1ACACBGPR119CACNA1HCDK4

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