SCHEMBL4764824

SCHEMBL4764824

O=C1CCc2cc(Nc3c(-c4ccccc4)sc4cnccc34)ccc21

nearest known ligand 0.75

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BRAF P15056 15/20 0.75
EIF2AK3 Q9NZJ5 2/20 0.53
MKNK1 Q9BUB5 1/20 0.47
CYP1A2 P05177 1/20 0.45
CYP11B1 P15538 1/20 0.45
CYP11B2 P19099 1/20 0.45
MAPK14 Q16539 2/20 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
SCHEMBL4766546 0.88 BRAF (0.59) BRAFEIF2AK3MKNK1CYP1A2CYP11B1
SCHEMBL4763571 0.86 BRAF (1.00) BRAFEIF2AK3
SCHEMBL4763575 0.86 BRAF (1.00) BRAFEIF2AK3
SCHEMBL5621835 0.79 BRAF (1.00) BRAFEIF2AK3
SCHEMBL4724718 0.79 BRAF (1.00) BRAFEIF2AK3
SCHEMBL5621267 0.79 BRAF (0.72) BRAFEIF2AK3
SCHEMBL14566749 0.77 BRAF (0.60) BRAFEIF2AK3MAPK14
SCHEMBL4764861 0.76 BRAF (0.69) BRAFEIF2AK3CYP1A2CYP11B1CYP11B2
SCHEMBL4722321 0.74 BRAF (0.78) BRAF
SCHEMBL4722320 0.74 BRAF (0.78) 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-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