SCHEMBL6883138

SCHEMBL6883138

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

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 16/20 0.49
BRAF P15056 14/20 0.49
MKNK1 Q9BUB5 3/20 0.48
EGFR P00533 1/20 0.42

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 0.88 TNNI3K (0.55) TNNI3KBRAFMKNK1EGFR
SCHEMBL6881665 0.86 TNNI3K (0.56) TNNI3KBRAFEGFR
SCHEMBL6881214 0.83 TNNI3K (0.51) TNNI3KBRAFMKNK1EGFR
SCHEMBL16699856 0.80 MKNK1 (0.59) TNNI3KBRAFMKNK1EGFR
SCHEMBL16699853 0.80 MKNK1 (0.59) TNNI3KBRAFMKNK1EGFR
SCHEMBL6882264 0.76 EGFR (0.69) TNNI3KBRAFEGFR
SCHEMBL16705862 0.74 MKNK1 (0.58) TNNI3KBRAFMKNK1EGFR
SCHEMBL16699899 0.74 MKNK1 (0.58) TNNI3KBRAFMKNK1EGFR
SCHEMBL16699897 0.74 MKNK1 (0.58) TNNI3KBRAFMKNK1EGFR
SCHEMBL6883075 0.74 TNNI3K (0.62) 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