SCHEMBL12065598

SCHEMBL12065598

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 20/20 1.00
▸ BRAF P15056 17/20 1.00

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
SCHEMBL12066407 0.90 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067126 0.89 TNNI3K (0.80) TNNI3KBRAF
SCHEMBL12067186 0.85 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL12067180 0.85 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL12065593 0.84 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12065584 0.84 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL12067882 0.82 TNNI3K (0.69) TNNI3KBRAF
SCHEMBL12066383 0.81 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL9986097 0.80 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL6883345 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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