SCHEMBL12066468

SCHEMBL12066468

CNS(=O)(=O)c1ccc(N2CCC(COC)CC2)c(Nc2ncnc3[nH]nc(Br)c23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.55
BRAF P15056 10/20 0.55

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
SCHEMBL12067068 0.90 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12067159 0.90 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12067986 0.88 TNNI3K (0.60) TNNI3KBRAF
SCHEMBL12066380 0.88 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL12066378 0.86 TNNI3K (0.66) TNNI3KBRAF
SCHEMBL9986102 0.86 TNNI3K (0.67) TNNI3KBRAF
SCHEMBL12066470 0.85 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL12065843 0.85 TNNI3K (0.48) TNNI3KBRAF
SCHEMBL12067033 0.85 TNNI3K (0.62) TNNI3KBRAF
SCHEMBL12065789 0.84 TNNI3K (0.76) 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-2011149827-A1 COMPOUNDS AND METHODS GLAXOSMITHKLINE LLC (US) 2011-12-01 WO disclosed