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SCHEMBL5201418

SCHEMBL5201418

COc1c(NC(=O)c2ccc(C)c(-n3cnc(C(=O)NCc4cccnc4)c3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.COc1c(NC(=O)c2ccc(C)c(-n3cnc(C(=O)O)c3)c2)cc(C(C)(C)C)cc1NS(C)(=O)=O.C[C@H](N)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ BRAF P15056 16/20 0.41
▸ MAPK14 Q16539 1/20 0.39
▸ POLB P06746 1/20 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
SCHEMBL4485847 0.92 BRAF (0.46) BRAF
Picolamine SCHEMBL5176640 0.88 BRAF (0.45) BRAFMAPK14
Niacinamide SCHEMBL5176632 0.84 BRAF (0.46) BRAFMAPK14
SCHEMBL4479405 0.83 BRAF (0.54) BRAF
SCHEMBL13935955 0.82 BRAF (0.48) BRAFMAPK14
SCHEMBL13935959 0.82 BRAF (0.48) BRAFMAPK14
SCHEMBL6808232 0.81 BRAF (0.45) BRAFMAPK14POLB
SCHEMBL13935932 0.80 BRAF (0.51) BRAF
SCHEMBL13935921 0.79 MEN1 (0.46) BRAFMAPK14POLB
SCHEMBL303803 0.79 BRAF (0.51) BRAF

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-1756065-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2007-02-28 — — EP disclosed
WO-2005115991-A1 ANTI-CYTOKINE HETEROCYCLIC COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-12-08 — — WO disclosed