SCHEMBL9985706

SCHEMBL9985706

CNS(=O)(=O)c1cncc(Nc2nc[nH]c3nccc2-3)c1

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.55
BRAF P15056 11/20 0.43
BRD4 O60885 1/20 0.38

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
SCHEMBL9985458 0.85 TNNI3K (0.59) TNNI3KBRAF
SCHEMBL9985326 0.76 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9986399 0.76 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9985526 0.76 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9985530 0.75 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL9985600 0.73 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL9985758 0.72 TNNI3K (0.61) TNNI3KBRAF
SCHEMBL12067091 0.71 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL9986060 0.71 TNNI3K (0.64) TNNI3KBRAF
SCHEMBL9986246 0.70 TNNI3K (0.49) 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 claimed