SCHEMBL4766546

SCHEMBL4766546

COc1ccc(-c2sc3cnccc3c2Nc2ccc3c(c2)CCC3=O)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 12/20 0.59
EIF2AK3 Q9NZJ5 2/20 0.47
MKNK1 Q9BUB5 1/20 0.43
MAPK14 Q16539 6/20 0.42
CYP1A2 P05177 1/20 0.39
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39

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
SCHEMBL14566749 0.90 BRAF (0.60) BRAFEIF2AK3MAPK14
SCHEMBL4764824 0.88 BRAF (0.75) BRAFEIF2AK3MKNK1MAPK14CYP1A2
SCHEMBL4722321 0.87 BRAF (0.78) BRAF
SCHEMBL4722320 0.87 BRAF (0.78) BRAF
SCHEMBL5621208 0.82 BRAF (0.60) BRAFEIF2AK3
SCHEMBL14566685 0.77 BRAF (0.56) BRAFEIF2AK3MAPK14
SCHEMBL4762950 0.74 BRAF (0.71) BRAFEIF2AK3MAPK14
SCHEMBL4762945 0.74 BRAF (0.71) BRAFEIF2AK3MAPK14
SCHEMBL4762938 0.74 BRAF (0.71) BRAFEIF2AK3MAPK14
SCHEMBL4763575 0.74 BRAF (1.00) BRAFEIF2AK3

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-1934228-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-06-25 EP disclosed
WO-2007027855-A2 RAF INHIBITOR COMPOUNDS AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-03-08 WO disclosed