SCHEMBL12065865

SCHEMBL12065865

CNS(=O)(=O)c1ccc(N2CCC[C@@H]2C(F)(F)F)c(Nc2ncnc3[nH]ccc23)c1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 20/20 0.79
▸ BRAF P15056 4/20 0.64

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
SCHEMBL12066418 0.88 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067134 0.88 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067143 0.88 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067178 0.85 TNNI3K (0.65) TNNI3KBRAF
SCHEMBL1805836 0.84 TNNI3K (0.69) TNNI3KBRAF
SCHEMBL6912358 0.83 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL12065579 0.82 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067157 0.81 TNNI3K (0.80) TNNI3KBRAF
SCHEMBL12065818 0.81 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067121 0.81 TNNI3K (0.82) 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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