SCHEMBL9987249

SCHEMBL9987249

CNS(=O)(=O)c1cccc(Nc2nc[nH]c3ncc(-c4ccc(NC(C)=O)cc4)c2-3)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 19/20 0.49
BRAF P15056 15/20 0.49
CDK1 P06493 1/20 0.44
CDK2 P24941 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
PIK3CG P48736 1/20 0.44
SMG1 Q96Q15 1/20 0.44

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
SCHEMBL9978322 0.88 TNNI3K (0.63) TNNI3KBRAF
SCHEMBL9986916 0.88 TNNI3K (0.59) TNNI3KBRAF
SCHEMBL9978244 0.88 TNNI3K (0.55) TNNI3KBRAF
SCHEMBL9978327 0.86 TNNI3K (0.51) TNNI3KBRAF
SCHEMBL9985725 0.80 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL9985228 0.80 TNNI3K (0.57) TNNI3KBRAF
SCHEMBL9985782 0.79 TNNI3K (0.58) TNNI3KBRAF
SCHEMBL9985639 0.79 TNNI3K (0.59) TNNI3KBRAF
SCHEMBL9986007 0.79 TNNI3K (0.60) TNNI3KBRAF
SCHEMBL12067084 0.78 TNNI3K (0.79) 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