SCHEMBL6883908

SCHEMBL6883908

CNS(=O)(=O)c1ccc(SC)c(Nc2ncnc3[nH]c4ccccc4c23)c1

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 19/20 0.72
▸ BRAF P15056 8/20 0.67
▸ EGFR P00533 1/20 0.47

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
SCHEMBL6885206 0.86 TNNI3K (0.75) TNNI3KBRAFEGFR
SCHEMBL6884726 0.85 TNNI3K (0.74) TNNI3KBRAFEGFR
SCHEMBL6883345 0.84 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL6885028 0.82 TNNI3K (0.81) TNNI3KBRAF
SCHEMBL12065584 0.81 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL6882539 0.80 TNNI3K (1.00) TNNI3KBRAFEGFR
SCHEMBL12067127 0.80 TNNI3K (0.71) TNNI3KBRAF
SCHEMBL12066386 0.79 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL6883175 0.79 TNNI3K (0.70) TNNI3KBRAF
SCHEMBL12065842 0.73 TNNI3K (0.77) 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-2011056739-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-05-12 — — WO disclosed
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