SCHEMBL5804303

SCHEMBL5804303

O=c1n(-c2ccc(Cl)cc2)nc(-c2ccncc2)n1-c1ccc(F)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 2/20 0.52
BRAF P15056 2/20 0.52
KDR P35968 2/20 0.52
KCNH2 Q12809 2/20 0.44
AOC3 Q16853 2/20 0.44
FLT3 P36888 2/20 0.42
MAPK14 Q16539 3/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
HTT P42858 1/20 0.41
TP53 P04637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
CNR1 P21554 1/20 0.40
LMNA P02545 1/20 0.40
GAA P10253 1/20 0.39
OXTR P30559 1/20 0.38
MAPK13 O15264 1/20 0.38
GCGR P47871 1/20 0.38
MAPK12 P53778 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
SCHEMBL5819589 0.88 SRC (0.53) SRCBRAFKDRFLT3MAPK14
SCHEMBL5820384 0.88 LMNA (0.47) MEN1KMT2AATMTP53L3MBTL1
SCHEMBL5820515 0.84 BRAF (0.55) SRCBRAFKDRFLT3MAPK14
SCHEMBL5808026 0.84 SRC (0.55) SRCBRAFKDRMAPK14TP53
SCHEMBL5817016 0.80 L3MBTL1 (0.47) SRCBRAFKDRAOC3FLT3
SCHEMBL5816696 0.79 MEN1 (0.46) MEN1KMT2ALMNA
SCHEMBL5820410 0.79 BRAF (0.38) SRCBRAFKDRFLT3MAPK14
SCHEMBL5820957 0.76 TP53 (0.46) MEN1KMT2AHTTTP53LMNA
SCHEMBL5805633 0.73 MAPT (0.53) KCNH2MAPK14MEN1KMT2AL3MBTL1
SCHEMBL5814956 0.73 MAPK9 (0.42) SRCBRAFKDRAOC3FLT3

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