SCHEMBL12067880

SCHEMBL12067880

CNS(=O)(=O)c1ccc(OC)c(Nc2ncnc3[nH]cc(-c4ccco4)c23)c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 19/20 0.58
▸ BRAF P15056 18/20 0.54

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
SCHEMBL12066371 0.91 TNNI3K (0.49) TNNI3KBRAF
SCHEMBL12067882 0.87 TNNI3K (0.69) TNNI3KBRAF
SCHEMBL12067067 0.84 TNNI3K (0.55) TNNI3KBRAF
SCHEMBL12067096 0.83 TNNI3K (0.72) TNNI3KBRAF
SCHEMBL12065593 0.82 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12066369 0.82 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12065793 0.81 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12067896 0.75 TNNI3K (0.44) TNNI3KBRAF
SCHEMBL6884726 0.74 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL12067874 0.73 TNNI3K (0.63) 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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