SCHEMBL6882267

SCHEMBL6882267

CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c4cc(OC)ccc4c23)c1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.74
BRAF P15056 16/20 0.74
EGFR P00533 1/20 0.57

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
SCHEMBL6882538 0.87 TNNI3K (0.79) TNNI3KBRAFEGFR
SCHEMBL6881117 0.86 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL6881554 0.86 TNNI3K (0.77) TNNI3KBRAFEGFR
SCHEMBL6881017 0.86 TNNI3K (0.71) TNNI3KBRAF
SCHEMBL6882539 0.86 TNNI3K (1.00) TNNI3KBRAFEGFR
SCHEMBL6883118 0.83 TNNI3K (0.73) TNNI3KBRAFEGFR
SCHEMBL6883029 0.83 TNNI3K (0.73) TNNI3KBRAF
SCHEMBL6882970 0.83 TNNI3K (0.73) TNNI3KBRAFEGFR
SCHEMBL6881206 0.82 TNNI3K (0.71) TNNI3KBRAF
SCHEMBL6881889 0.80 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