SCHEMBL12066433

SCHEMBL12066433

CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(Br)c(Br)c23)c1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 20/20 0.71
BRAF P15056 19/20 0.71

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
SCHEMBL12065544 0.83 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL6881554 0.83 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL6882539 0.82 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067100 0.81 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL6882538 0.80 TNNI3K (0.79) TNNI3KBRAF
SCHEMBL6882264 0.79 EGFR (0.69) TNNI3KBRAF
SCHEMBL6881889 0.79 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL6881736 0.79 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL6881117 0.79 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL12067111 0.79 TNNI3K (1.00) 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