SCHEMBL9980428

SCHEMBL9980428

CNS(=O)(=O)c1ccc(F)c(Nc2ncnc3[nH]cnc23)c1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 20/20 0.69
▸ BRAF P15056 6/20 0.53

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
SCHEMBL12065571 0.82 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067180 0.80 TNNI3K (0.74) TNNI3KBRAF
SCHEMBL12066425 0.79 TNNI3K (0.70) TNNI3KBRAF
SCHEMBL4922444 0.79 TNNI3K (0.41) TNNI3K
SCHEMBL4921940 0.78 GRM4 (0.48) TNNI3KBRAF
SCHEMBL12067916 0.77 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL9985326 0.76 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9985716 0.76 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL6885206 0.76 TNNI3K (0.75) TNNI3KBRAF
SCHEMBL4920154 0.75 KDR (0.36) 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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