SCHEMBL4721764

SCHEMBL4721764

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(-n3cncn3)cc2)ncn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 2/20 0.45
GPR119 Q8TDV5 6/20 0.41
TBK1 Q9UHD2 1/20 0.38
FGFR3 P22607 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LCK P06239 4/20 0.35
SYK P43405 2/20 0.35
JAK2 O60674 1/20 0.35
ABL1 P00519 1/20 0.35
INSR P06213 1/20 0.35
FYN P06241 1/20 0.35
YES1 P07947 1/20 0.35
LYN P07948 1/20 0.35
RET P07949 1/20 0.35
MET P08581 1/20 0.35
ROS1 P08922 1/20 0.35
KIT P10721 1/20 0.35
BCR P11274 1/20 0.35
FGFR1 P11362 1/20 0.35

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
SCHEMBL389197 0.90 GPR119 (0.53) S1PR1GPR119TBK1SYK
SCHEMBL4765477 0.89 GPR119 (0.40) GPR119TBK1FGFR3KMT2ALCK
SCHEMBL4719145 0.88 S1PR1 (0.47) S1PR1GPR119TBK1FGFR3LCK
SCHEMBL4720368 0.87 S1PR1 (0.39) S1PR1GPR119TBK1FGFR3LCK
SCHEMBL4721914 0.85 GPR119 (0.46) S1PR1GPR119TBK1
SCHEMBL4721660 0.84 GPR119 (0.40) S1PR1GPR119TBK1FGFR3JAK2
SCHEMBL4721883 0.84 CDK1 (0.40) S1PR1GPR119TBK1FGFR3ABL1
SCHEMBL4721012 0.84 TBK1 (0.38) S1PR1GPR119TBK1FGFR3LCK
SCHEMBL4719783 0.83 TBK1 (0.39) S1PR1GPR119TBK1FGFR3LCK
SCHEMBL4719878 0.83 TNNI3K (0.41) S1PR1GPR119TBK1

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