SCHEMBL6881665

SCHEMBL6881665

CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c4c(c23)CC(C(=O)O)CC4)c1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.56
BRAF P15056 17/20 0.56
EGFR P00533 1/20 0.51

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
SCHEMBL6881218 0.92 TNNI3K (0.55) TNNI3KBRAFEGFR
SCHEMBL6881214 0.89 TNNI3K (0.51) TNNI3KBRAFEGFR
SCHEMBL6883138 0.86 TNNI3K (0.49) TNNI3KBRAFEGFR
SCHEMBL6882264 0.82 EGFR (0.69) TNNI3KBRAFEGFR
SCHEMBL6883075 0.80 TNNI3K (0.62) TNNI3KBRAFEGFR
SCHEMBL16700520 0.79 MKNK1 (0.56) EGFR
SCHEMBL15534302 0.79 MKNK1 (0.56) EGFR
SCHEMBL16705939 0.79 MKNK1 (0.56) EGFR
SCHEMBL6883222 0.78 TNNI3K (0.58) TNNI3KBRAF
SCHEMBL15534878 0.76 MKNK1 (0.48) EGFR

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