SCHEMBL5817016

SCHEMBL5817016

O=c1n(-c2ccc(F)cc2F)nc(-c2ccncc2)n1-c1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.47
PTK2 Q05397 1/20 0.39
MAPK14 Q16539 3/20 0.39
OPRM1 P35372 1/20 0.38
FLT3 P36888 1/20 0.37
SRC P12931 1/20 0.37
BRAF P15056 1/20 0.37
KDR P35968 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
CYP17A1 P05093 1/20 0.35
CYP1A2 P05177 1/20 0.35
CNR1 P21554 4/20 0.35
CNR2 P34972 3/20 0.35
GLA P06280 1/20 0.35
AOC3 Q16853 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
SCHEMBL5815218 0.89 L3MBTL1 (0.48) L3MBTL1OPRM1NPC1RAB9AGLA
SCHEMBL5819589 0.81 SRC (0.53) MAPK14FLT3SRCBRAFKDR
SCHEMBL5804303 0.80 SRC (0.52) L3MBTL1MAPK14FLT3SRCBRAF
SCHEMBL5820515 0.77 BRAF (0.55) MAPK14FLT3SRCBRAFKDR
SCHEMBL5808026 0.77 SRC (0.55) L3MBTL1MAPK14SRCBRAFKDR
SCHEMBL5820410 0.72 BRAF (0.38) MAPK14FLT3SRCBRAFKDR
SCHEMBL5816696 0.72 MEN1 (0.46) NPC1CYP1A2
SCHEMBL5814956 0.71 MAPK9 (0.42) MAPK14FLT3SRCBRAFKDR
SCHEMBL5806904 0.70 MAPK9 (0.43) MAPK14CNR1CNR2AOC3
SCHEMBL5814608 0.70 MAPK9 (0.43) MAPK14CNR1CNR2AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO claimed
WO-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO disclosed