SCHEMBL4720580

SCHEMBL4720580

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2cc(F)c(Br)cc2F)ncn1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 4/20 0.37
ACACB O00763 2/20 0.34
GPR119 Q8TDV5 5/20 0.33
KDR P35968 2/20 0.32
ERBB2 P04626 1/20 0.32
EPHA2 P29317 1/20 0.32
EPHB4 P54760 1/20 0.32
CACNA1H O95180 1/20 0.32
AAK1 Q2M2I8 1/20 0.31
EGFR P00533 1/20 0.31
S1PR1 P21453 2/20 0.30
IDO1 P14902 1/20 0.30
ABL1 P00519 1/20 0.30
PTK6 Q13882 1/20 0.30

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
SCHEMBL4719712 0.91 S1PR1 (0.36) TBK1GPR119KDRERBB2EPHA2
SCHEMBL4724030 0.91 KDR (0.39) TBK1KDRERBB2EPHA2EPHB4
SCHEMBL4723661 0.90 GPR119 (0.38) TBK1ACACBGPR119
SCHEMBL4719875 0.89 MKNK1 (0.39) TBK1ACACBGPR119KDR
SCHEMBL389718 0.89 TBK1 (0.44) TBK1GPR119IDO1
SCHEMBL4724482 0.89 GPR119 (0.38) TBK1ACACBGPR119AAK1
SCHEMBL4763290 0.89 TBK1 (0.40) TBK1ACACBGPR119CACNA1HAAK1
SCHEMBL4723185 0.88 TBK1 (0.38) TBK1ACACBGPR119KDREGFR
SCHEMBL4722370 0.88 TBK1 (0.39) TBK1ACACBGPR119CACNA1H
SCHEMBL4718652 0.88 TBK1 (0.39) TBK1ACACBGPR119CACNA1HABL1

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