SCHEMBL6883075

SCHEMBL6883075

CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c4c(c23)CNCC4)c1

nearest known ligand 0.62

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.62
BRAF P15056 17/20 0.62
EGFR P00533 1/20 0.52

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
SCHEMBL6882264 0.87 EGFR (0.69) TNNI3KBRAFEGFR
SCHEMBL6881877 0.81 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL6883222 0.80 TNNI3K (0.58) TNNI3KBRAF
SCHEMBL6881665 0.80 TNNI3K (0.56) TNNI3KBRAFEGFR
SCHEMBL6881218 0.79 TNNI3K (0.55) TNNI3KBRAFEGFR
SCHEMBL6882539 0.77 TNNI3K (1.00) TNNI3KBRAFEGFR
SCHEMBL12066433 0.77 TNNI3K (0.71) TNNI3KBRAF
SCHEMBL6881214 0.76 TNNI3K (0.51) TNNI3KBRAFEGFR
SCHEMBL6881956 0.76 TNNI3K (0.58) TNNI3KBRAF
SCHEMBL6882538 0.74 TNNI3K (0.79) TNNI3KBRAFEGFR

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