SCHEMBL7648286

SCHEMBL7648286

BrB(Br)Br.Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl

nearest known ligand 0.91

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BRAF P15056 10/20 0.91
RAF1 P04049 9/20 0.91
MAPK13 O15264 11/20 0.74
MAPK12 P53778 11/20 0.74
MAPK11 Q15759 11/20 0.74
MAPK14 Q16539 11/20 0.74
BRDT Q58F21 1/20 0.65
GCGR P47871 3/20 0.64
MAPK9 P45984 1/20 0.61

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
SCHEMBL29355176 0.95 BRAF (1.00) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL7643418 0.95 BRAF (1.00) BRAFRAF1MAPK13MAPK12MAPK11
Bromide SCHEMBL7648283 0.93 BRAF (0.95) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL12856388 0.90 BRAF (0.90) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL28403334 0.85 MAPK13 (1.00) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL2214546 0.81 BRAF (1.00) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL2649589 0.80 MAPK13 (0.90) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL15075633 0.80 BRAF (0.91) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL7645951 0.79 MAPK13 (0.74) BRAFRAF1MAPK13MAPK12MAPK11
SCHEMBL20242995 0.79 RAF1 (0.70) BRAFRAF1MAPK13MAPK12MAPK11

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1173254-A2 NOVEL TREATMENT OF NEUROTRAUMATIC CONDITIONS WITH A RAF INHIBITOR SMITHKLINE BEECHAM PLC (GB) 2002-01-23 EP disclosed
WO-2000064422-A2 NOVEL TREATMENT OF NEUROTRAUMATIC CONDITIONS WITH RAF INHIBITOR SMITHKLINE BEECHAM P.L.C. (GB) 2000-11-02 WO disclosed