SCHEMBL5820515

SCHEMBL5820515

N#Cc1ccc(-n2nc(-c3ccncc3)n(-c3ccc(F)cc3)c2=O)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 3/20 0.55
KDR P35968 3/20 0.55
MAPK14 Q16539 4/20 0.45
CSNK1A1 P48729 1/20 0.45
CSNK1D P48730 1/20 0.45
AR P10275 1/20 0.43
GCGR P47871 2/20 0.41
PGR P06401 1/20 0.41
MAPK13 O15264 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK12 P53778 1/20 0.41
MAPK11 Q15759 1/20 0.41
KDM4E B2RXH2 2/20 0.40
TP53 P04637 1/20 0.40
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
RIPK3 Q9Y572 1/20 0.39
FLT3 P36888 1/20 0.39
SRC P12931 2/20 0.39
MEN1 O00255 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 0.85 SRC (0.53) BRAFKDRMAPK14CSNK1A1CSNK1D
SCHEMBL5804303 0.84 SRC (0.52) BRAFKDRMAPK14GCGRMAPK13
SCHEMBL5808026 0.81 SRC (0.55) BRAFKDRMAPK14GCGRKDM4E
SCHEMBL5817016 0.77 L3MBTL1 (0.47) BRAFKDRMAPK14FLT3SRC
SCHEMBL5816696 0.76 MEN1 (0.46) MEN1KMT2A
SCHEMBL5820410 0.76 BRAF (0.38) BRAFKDRMAPK14RIPK3FLT3
SCHEMBL5820957 0.73 TP53 (0.46) KDM4ETP53MEN1KMT2A
SCHEMBL5816762 0.72 ALDH1A1 (0.43) ARKDM4EMEN1GAAKMT2A
SCHEMBL5820384 0.72 LMNA (0.47) KDM4ETP53MEN1GAAKMT2A
SCHEMBL14839292 0.71 BRAF (1.00) BRAFKDRMAPK14CSNK1A1CSNK1D

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