SCHEMBL20008602

SCHEMBL20008602

C=C(Nc1ccc(C)c(-c2ccnc(N3CCOCC3)c2)c1)c1ccnc(SC)c1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 19/20 0.62
RAF1 P04049 18/20 0.62
MAPK13 O15264 1/20 0.50
HSPB1 P04792 1/20 0.50
MAPK12 P53778 1/20 0.50
MAPK11 Q15759 1/20 0.50
MAPK14 Q16539 1/20 0.50

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
SCHEMBL16034935 0.76 BRAF (1.00) BRAFRAF1MAPK13HSPB1MAPK12
SCHEMBL16037032 0.75 BRAF (1.00) BRAFRAF1
SCHEMBL16034819 0.75 BRAF (1.00) BRAFRAF1
SCHEMBL16034999 0.75 BRAF (1.00) BRAFRAF1
SCHEMBL20009394 0.75 BRAF (0.70) BRAFRAF1MAPK14
SCHEMBL28024722 0.75 BRAF (0.72) BRAFRAF1MAPK13HSPB1MAPK12
SCHEMBL17523467 0.74 BRAF (1.00) BRAFRAF1
SCHEMBL16036704 0.74 BRAF (1.00) BRAFRAF1
SCHEMBL20008245 0.74 BRAF (0.71) BRAFRAF1
SCHEMBL12831646 0.74 MAPK14 (0.52) BRAFRAF1MAPK13HSPB1MAPK12

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
EP-3299367-A1 BIARYL AMIDE COMPOUNDS AS KINASE INHIBITORS Novartis AG (CH) 2018-03-28 EP disclosed