SCHEMBL13693286

SCHEMBL13693286

COCC(=O)NCCNc1nccc(-c2nc(-c3ccc(F)cc3)[nH]c2C2C=c3c(Br)c[nH]c3=NC2)n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 13/20 0.37
MAPK13 O15264 8/20 0.37
MAPK12 P53778 8/20 0.37
MAPK11 Q15759 8/20 0.37
BRAF P15056 3/20 0.32
RAF1 P04049 2/20 0.32
MAPK9 P45984 2/20 0.32
DYRK3 O43781 1/20 0.32
PRKD3 O94806 1/20 0.32
MAP4K4 O95819 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
MATK P42679 1/20 0.32
FRK P42685 1/20 0.32
CSNK1A1 P48729 1/20 0.32
CSNK1D P48730 1/20 0.32
CLK2 P49760 1/20 0.32
GSK3A P49840 1/20 0.32
GSK3B P49841 1/20 0.32
CSNK1G2 P78368 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
SCHEMBL13693148 0.92 MAPK14 (0.37) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL67221 0.77 SPR (0.38) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68118 0.72 CDK8 (0.42) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL70235 0.71 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68130 0.70 MAPK14 (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68361 0.70 BRAF (0.40) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL68182 0.68 TLR8 (0.38) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL13693361 0.65 MAPK14 (0.44) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL67180 0.62 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11BRAF
SCHEMBL13693369 0.62 MAPK8 (0.47) MAPK14MAPK13MAPK12MAPK11BRAF

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