SCHEMBL7645951

SCHEMBL7645951

COc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl

nearest known ligand 0.74

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK13 O15264 13/20 0.74
MAPK12 P53778 13/20 0.74
MAPK11 Q15759 13/20 0.74
MAPK14 Q16539 13/20 0.74
RAF1 P04049 10/20 0.74
BRAF P15056 3/20 0.71
GCGR P47871 3/20 0.64
MAPK9 P45984 1/20 0.61
TP53 P04637 1/20 0.60
MAPT P10636 1/20 0.60
TEK Q02763 1/20 0.59
NOX1 Q9Y5S8 2/20 0.59
SMPD3 Q9NY59 1/20 0.58
BRDT Q58F21 1/20 0.58

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
SCHEMBL28403334 0.85 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL15075623 0.84 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6465030 0.84 MAPK13 (0.71) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL7643418 0.83 BRAF (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL29355176 0.83 BRAF (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL27934209 0.82 MAPK13 (0.67) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469484 0.81 NOX1 (0.88) MAPK13MAPK12MAPK11MAPK14RAF1
Bromide SCHEMBL7648283 0.81 BRAF (0.95) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL6469341 0.80 MAPK13 (1.00) MAPK13MAPK12MAPK11MAPK14RAF1
SCHEMBL2649589 0.80 MAPK13 (0.90) MAPK13MAPK12MAPK11MAPK14RAF1

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