SCHEMBL13693370

SCHEMBL13693370

COc1cc(-c2nc(-c3ccc(F)cc3)[nH]c2-c2ccnc(NC[C@H](C)N)n2)cnc1N

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.51
MAPK14 Q16539 13/20 0.45
MAPK13 O15264 4/20 0.45
MAPK12 P53778 4/20 0.45
MAPK11 Q15759 4/20 0.45
RAF1 P04049 2/20 0.45
MAPK9 P45984 2/20 0.45
CSNK1D P48730 2/20 0.40
JAK3 P52333 1/20 0.40
ALOX5 P09917 2/20 0.38
GCGR P47871 2/20 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
SCHEMBL69636 0.94 BRAF (0.52) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67047 0.89 BRAF (0.51) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL67046 0.89 BRAF (0.51) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL69405 0.88 BRAF (0.44) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL69314 0.87 BRAF (0.49) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68214 0.87 BRAF (0.49) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68213 0.87 BRAF (0.49) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL66806 0.87 BRAF (0.49) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL66805 0.87 BRAF (0.49) BRAFMAPK14MAPK13MAPK12MAPK11
SCHEMBL68576 0.84 BRAF (0.62) BRAFMAPK14MAPK13MAPK12MAPK11

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