SCHEMBL4750108

SCHEMBL4750108

Cc1ccc(NC(=O)c2cccc(CC(C)C#N)c2)cc1Nc1ncnc2cc(OC(C)C)ccc12

nearest known ligand 0.54

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 7/20 0.54
BRAF P15056 12/20 0.47
SMO Q99835 1/20 0.47
EGFR P00533 3/20 0.45
KDR P35968 3/20 0.44

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
SCHEMBL4968714 0.90 MAPK14 (0.49) MAPK14BRAFEGFR
SCHEMBL4750107 0.85 BRAF (0.66) BRAF
SCHEMBL4967010 0.79 MAPK14 (0.48) MAPK14BRAFEGFRKDR
SCHEMBL4967069 0.79 BRAF (0.62) MAPK14BRAF
SCHEMBL4746679 0.78 BRAF (0.71) MAPK14BRAF
SCHEMBL29459596 0.78 BRAF (0.71) MAPK14BRAF
SCHEMBL5000815 0.76 BRAF (0.63) BRAF
SCHEMBL5004339 0.76 BRAF (0.62) BRAF
SCHEMBL4750146 0.75 BRAF (0.69) MAPK14BRAFKDR
SCHEMBL19462171 0.75 BRAF (0.69) MAPK14BRAFKDR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008120004-A1 COMBINATION OF A MEK- INHIBITOR AND A B-RAF INHIBITOR FOR THE TREATMENT OF CANCER ASTRAZENECA AB (SE) 2008-10-09 WO claimed