SCHEMBL4723296

SCHEMBL4723296

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(F)cn2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.39
GPR119 Q8TDV5 2/20 0.36
ACACB O00763 2/20 0.36
JAK2 O60674 2/20 0.35
JAK1 P23458 2/20 0.35
SLC34A1 Q06495 2/20 0.34
SYK P43405 1/20 0.33
CACNA1H O95180 1/20 0.33
TYK2 P29597 1/20 0.33
EGFR P00533 1/20 0.33
LYN P07948 3/20 0.32
SRC P12931 3/20 0.32
BTK Q06187 2/20 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
SCHEMBL4721330 0.90 SYK (0.39) TBK1GPR119ACACBSYK
SCHEMBL4719875 0.89 MKNK1 (0.39) TBK1GPR119ACACB
SCHEMBL389695 0.88 GPR119 (0.47) TBK1GPR119JAK2JAK1SLC34A1
SCHEMBL4763290 0.88 TBK1 (0.40) TBK1GPR119ACACBCACNA1H
SCHEMBL4719368 0.87 TBK1 (0.38) TBK1GPR119ACACBJAK2SYK
SCHEMBL4723287 0.86 TBK1 (0.39) TBK1GPR119ACACBCACNA1H
SCHEMBL4719783 0.85 TBK1 (0.39) TBK1GPR119ACACBJAK2JAK1
SCHEMBL4718652 0.85 TBK1 (0.39) TBK1GPR119ACACBCACNA1H
SCHEMBL4722370 0.85 TBK1 (0.39) TBK1GPR119ACACBCACNA1H
SCHEMBL4723185 0.84 TBK1 (0.38) TBK1GPR119ACACBEGFR

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