SCHEMBL12067916

SCHEMBL12067916

CNS(=O)(=O)c1ccc(F)c(Nc2ncnc3[nH]nc(Br)c23)c1

nearest known ligand 0.62

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 20/20 0.62
BRAF P15056 9/20 0.53

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
SCHEMBL12067874 0.86 TNNI3K (0.63) TNNI3KBRAF
SCHEMBL9986097 0.85 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12065794 0.84 TNNI3K (0.50) TNNI3KBRAF
SCHEMBL12067069 0.83 TNNI3K (0.67) TNNI3KBRAF
SCHEMBL12067929 0.83 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12065804 0.83 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12066378 0.82 TNNI3K (0.66) TNNI3KBRAF
SCHEMBL12067095 0.82 TNNI3K (0.48) TNNI3KBRAF
SCHEMBL12067993 0.82 TNNI3K (0.66) TNNI3KBRAF
SCHEMBL9986102 0.81 TNNI3K (0.67) TNNI3KBRAF

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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed