SCHEMBL4724030

SCHEMBL4724030

CN(CC1CCN(OC(=O)OC(C)(C)C)CC1)c1cc(Nc2ccc(Br)cc2F)ncn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDR P35968 16/20 0.39
EGFR P00533 15/20 0.39
FGFR1 P11362 5/20 0.38
FLT1 P17948 5/20 0.38
FLT4 P35916 5/20 0.38
RET P07949 2/20 0.38
PDGFRB P09619 2/20 0.38
TEK Q02763 2/20 0.38
BMPR1B O00238 1/20 0.38
PLK4 O00444 1/20 0.38
CIT O14578 1/20 0.38
GAK O14976 1/20 0.38
EPHB6 O15197 1/20 0.38
RIPK2 O43353 1/20 0.38
ROCK2 O75116 1/20 0.38
STK10 O94804 1/20 0.38
MAP4K4 O95819 1/20 0.38
ABL1 P00519 1/20 0.38
ERBB2 P04626 1/20 0.38
LCK P06239 1/20 0.38

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 0.93 MKNK1 (0.39) KDRHTR2ASLC6A4MKNK1TBK1
SCHEMBL4723185 0.91 TBK1 (0.38) KDREGFRFGFR1FLT1FLT4
SCHEMBL4720580 0.91 TBK1 (0.37) KDREGFRABL1ERBB2EPHA2
SCHEMBL4718652 0.90 TBK1 (0.39) ABL1LCKBCRFGFR4PTK6
SCHEMBL386381 0.89 GPR119 (0.46) KDREGFRTBK1
SCHEMBL4720573 0.89 GPR119 (0.48) IRAK4TBK1
SCHEMBL4721644 0.89 GPR119 (0.46)
SCHEMBL4763290 0.87 TBK1 (0.40) LCKHTR2ASLC6A4MKNK1TBK1
SCHEMBL4724082 0.87 TBK1 (0.38) KDRABL1LCKFGFR4PTK6
SCHEMBL4722370 0.86 TBK1 (0.39) FGFR1FGFR4HTR2ASLC6A4TBK1

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