SCHEMBL12067180

SCHEMBL12067180

CNS(=O)(=O)c1ccc(F)c(Nc2ncnc3[nH]cc(C)c23)c1

nearest known ligand 0.74

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 19/20 0.74
▸ BRAF P15056 14/20 0.74

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
SCHEMBL12067186 0.87 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL12065593 0.86 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12065584 0.86 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12065598 0.85 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067179 0.80 TNNI3K (0.71) TNNI3KBRAF
SCHEMBL9980428 0.80 TNNI3K (0.69) TNNI3KBRAF
SCHEMBL12065571 0.80 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067111 0.80 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067916 0.80 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL12065841 0.80 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
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