SCHEMBL13693461

SCHEMBL13693461

CNCCOc1ccc(-c2nc(-c3ccncc3)c(-c3cnc(N)c(O)c3)[nH]2)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.51
ALOX5 P09917 2/20 0.48
GCGR P47871 3/20 0.44
MAPK13 O15264 3/20 0.44
MAPK12 P53778 3/20 0.44
MAPK11 Q15759 3/20 0.44
MAPK14 Q16539 3/20 0.44
RAF1 P04049 1/20 0.44

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
SCHEMBL68620 0.80 MAPK13 (0.63) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL84223 0.75 BRAF (0.65) BRAFALOX5RAF1
SCHEMBL67146 0.74 MAPK13 (0.63) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL67052 0.73 MAPK14 (0.56) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL13693373 0.71 MAPK14 (0.61) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL27584011 0.70 BRAF (0.49) BRAFALOX5MAPK13MAPK12MAPK11
SCHEMBL68402 0.70 SMPD3 (0.57) ALOX5GCGRMAPK13MAPK12MAPK11
SCHEMBL67667 0.70 RAF1 (0.65) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL67376 0.70 ALOX5 (0.65) BRAFALOX5GCGRMAPK13MAPK12
SCHEMBL66923 0.69 MAPK11 (0.61) BRAFALOX5GCGRMAPK13MAPK12

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-2009115572-A2 NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF NOVARTIS AG (CH) 2009-09-24 WO disclosed