SCHEMBL9986121

SCHEMBL9986121

CNS(=O)(=O)c1ccc(N2CCC(C)CC2)c(Nc2nc[nH]c3nccc2-3)c1

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 17/20 0.52
▸ BRAF P15056 6/20 0.48
▸ ALDH1A1 P00352 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 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
SCHEMBL9985768 0.89 TNNI3K (0.48) TNNI3KBRAF
SCHEMBL9986078 0.86 TNNI3K (0.57) TNNI3KBRAFLMNAMAPT
SCHEMBL9985438 0.86 TNNI3K (0.64) TNNI3KBRAFALDH1A1MAPT
SCHEMBL9986630 0.84 TNNI3K (0.49) TNNI3KBRAF
SCHEMBL9986587 0.83 TNNI3K (0.64) TNNI3KBRAF
SCHEMBL9985723 0.82 TNNI3K (0.59) TNNI3KBRAFLMNAMAPT
SCHEMBL9985326 0.78 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9986399 0.78 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL9985526 0.78 TNNI3K (0.56) TNNI3KBRAF
SCHEMBL12067121 0.77 TNNI3K (0.82) 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
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