SCHEMBL4723185

SCHEMBL4723185

Cc1ccc(Nc2cc(N(C)CC3CCN(OC(=O)OC(C)(C)C)CC3)ncn2)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TBK1 Q9UHD2 1/20 0.38
KDR P35968 2/20 0.36
EGFR P00533 1/20 0.36
FGFR1 P11362 1/20 0.36
FLT1 P17948 1/20 0.36
FLT4 P35916 1/20 0.36
GPR119 Q8TDV5 10/20 0.36
KCNH2 Q12809 1/20 0.35
SCN5A Q14524 1/20 0.35
ACACB O00763 2/20 0.35
MKNK1 Q9BUB5 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2C9 P11712 1/20 0.34
ABL1 P00519 1/20 0.34
PTK6 Q13882 1/20 0.34
PIK3CA P42336 1/20 0.33
PRKDC P78527 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
SCHEMBL4719875 0.94 MKNK1 (0.39) TBK1KDRGPR119ACACBMKNK1
SCHEMBL4724030 0.91 KDR (0.39) TBK1KDREGFRFGFR1FLT1
SCHEMBL4718652 0.90 TBK1 (0.39) TBK1GPR119ACACBCYP3A4CYP2C9
SCHEMBL4721644 0.89 GPR119 (0.46) GPR119CYP3A4CYP2C9
SCHEMBL4720573 0.89 GPR119 (0.48) TBK1GPR119
SCHEMBL386784 0.89 GPR119 (0.46) TBK1GPR119MKNK1CYP3A4CYP2C9
SCHEMBL4720580 0.88 TBK1 (0.37) TBK1KDREGFRGPR119ACACB
SCHEMBL4763290 0.88 TBK1 (0.40) TBK1GPR119ACACBMKNK1
SCHEMBL4724082 0.87 TBK1 (0.38) TBK1KDRGPR119ACACBABL1
SCHEMBL4722370 0.87 TBK1 (0.39) TBK1FGFR1GPR119ACACB

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