SCHEMBL13693285

SCHEMBL13693285

COC1C=C(c2[nH]c(-c3ccccc3)nc2-c2ccnc(NCCNS(=O)(=O)C3CC3)n2)C=NC1N

nearest known ligand 0.42

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 11/20 0.42
MAPK14 Q16539 14/20 0.42
RAF1 P04049 3/20 0.41
MAPK13 O15264 2/20 0.41
MAPK9 P45984 2/20 0.41
MAPK12 P53778 2/20 0.41
MAPK11 Q15759 2/20 0.41

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
SCHEMBL13693136 0.93 BRAF (0.40) BRAFMAPK14RAF1MAPK13MAPK12
SCHEMBL13693132 0.91 BRAF (0.44) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693365 0.86 BRAF (0.53) BRAFMAPK14RAF1
SCHEMBL13693366 0.85 MAPK14 (0.44) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693454 0.84 MAPK14 (0.42) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693361 0.83 MAPK14 (0.44) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693130 0.80 BRAF (0.37) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL84613 0.79 BRAF (0.44) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693374 0.79 MAPK9 (0.44) BRAFMAPK14RAF1MAPK13MAPK9
SCHEMBL13693250 0.78 CDK7 (0.39) MAPK14RAF1MAPK13MAPK9MAPK12

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