SCHEMBL9986248

SCHEMBL9986248

CNS(=O)(=O)c1ccc(N2CCCC2)c(Nc2[nH]cnc3ncnc2-3)c1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TNNI3K Q59H18 18/20 0.60
BRAF P15056 6/20 0.51
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45

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
SCHEMBL9985605 0.92 TNNI3K (0.52) TNNI3KBRAF
SCHEMBL9986214 0.91 TNNI3K (0.50) TNNI3KBRAF
SCHEMBL9986560 0.91 TNNI3K (0.51) TNNI3KBRAF
SCHEMBL9985616 0.89 TNNI3K (0.49) TNNI3KBRAFMAPT
SCHEMBL9986147 0.88 TNNI3K (0.47) TNNI3KBRAFMAPT
SCHEMBL9987092 0.86 TNNI3K (0.47) TNNI3KBRAF
SCHEMBL9986926 0.86 TNNI3K (0.49) TNNI3KBRAF
SCHEMBL9986413 0.86 TNNI3K (0.46) TNNI3KBRAF
SCHEMBL9987104 0.86 TNNI3K (0.46) TNNI3KBRAF
SCHEMBL9987032 0.85 TNNI3K (0.64) TNNI3KBRAFMAPT

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