SCHEMBL8192247

SCHEMBL8192247

COc1cc(-c2ncc(C(F)(F)F)n(C)c2=O)c(F)cc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPOX P50336 2/20 0.36
BCAT2 O15382 1/20 0.34
BCAT1 P54687 1/20 0.34
FGFR1 P11362 2/20 0.33
GAK O14976 1/20 0.33
ABL1 P00519 1/20 0.33
FLT1 P17948 1/20 0.33
EPHA2 P29317 1/20 0.33
EPHA4 P54764 1/20 0.33
FGFR2 P21802 1/20 0.33
FGFR3 P22607 1/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CYP1A2 P05177 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PKM P14618 2/20 0.32
MAPT P10636 3/20 0.32
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
ALOX5AP P20292 1/20 0.32
FEN1 P39748 1/20 0.32

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
SCHEMBL8192289 0.91 HSP90AA1 (0.36) BCAT2BCAT1RXFP1CYP1A2ALDH1A1
SCHEMBL8188528 0.85 LMNA (0.44) PPOXALDH1A1MAPTMAPK1
SCHEMBL8187343 0.85 PGK1 (0.35) ALDH1A1PKM
SCHEMBL8201364 0.84 PPOX (0.36) PPOXALDH1A1MAPTMAPK1
SCHEMBL8189287 0.83 COMT (0.40) ALDH1A1PKMCOMT
SCHEMBL8177457 0.83 ALDH1A1 (0.33) FGFR1FGFR2FGFR3ALDH1A1PKM
SCHEMBL8186058 0.83 PPOX (0.31) PPOXALDH1A1PKM
SCHEMBL8177599 0.82 PPOX (0.35) PPOXALDH1A1PKMMAPTPOLB
SCHEMBL8189374 0.82 PPOX (0.46) PPOXALDH1A1PKMMAPTPOLB
SCHEMBL8189134 0.81 TDP1 (0.35) CYP1A2ALDH1A1PKMMAPTCOMT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6015774-A Pyrazin-2-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2000-01-18 US disclosed
CN-1202159-A Pyrazin-2-one derivatives, their use, and intermediates for their production SUMITOMO CHEMICAL CO (JP) 1998-12-16 CN disclosed
EP-0859765-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY LIMITED (JP) 1998-08-26 EP disclosed
WO-1997011060-A1 PYRAZIN-2-ONE DERIVATIVES, THEIR USE, AND INTERMEDIATES FOR THEIR PRODUCTION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1997-03-27 WO disclosed