SCHEMBL4719783

SCHEMBL4719783

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(F)c(F)c2)ncn1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.39
CACNA1H O95180 1/20 0.38
MPL P40238 4/20 0.37
ACACB O00763 2/20 0.36
KDR P35968 2/20 0.36
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
S1PR1 P21453 3/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
FGFR3 P22607 1/20 0.34
CYP2C19 P33261 1/20 0.34
LCK P06239 1/20 0.34
JAK2 O60674 2/20 0.34
BRD4 O60885 1/20 0.34
AAK1 Q2M2I8 1/20 0.34
JAK1 P23458 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
SCHEMBL390779 0.88 TBK1 (0.47) TBK1CACNA1HGPR119JAK2JAK1
SCHEMBL4763290 0.88 TBK1 (0.40) TBK1CACNA1HMPLACACBGPR119
SCHEMBL4723287 0.88 TBK1 (0.39) TBK1CACNA1HMPLACACBKDR
SCHEMBL4718652 0.87 TBK1 (0.39) TBK1CACNA1HACACBABL1BCR
SCHEMBL4719875 0.87 MKNK1 (0.39) TBK1ACACBKDRGPR119CYP3A4
SCHEMBL4721914 0.87 GPR119 (0.46) TBK1S1PR1GPR119
SCHEMBL4724418 0.86 SYK (0.39) TBK1MPLACACBS1PR1GPR119
SCHEMBL4722994 0.86 GPR119 (0.39) TBK1MPLACACBS1PR1GPR119
SCHEMBL4722378 0.86 TBK1 (0.37) TBK1CACNA1HMPLACACBGPR119
SCHEMBL4723185 0.85 TBK1 (0.38) TBK1ACACBKDRABL1GPR119

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