SCHEMBL12065842

SCHEMBL12065842

CNS(=O)(=O)c1ccc(SC)c(Nc2ncnc3[nH]c(-c4cccc(C(F)(F)F)c4)cc23)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 19/20 0.77
▸ BRAF P15056 12/20 0.77
▸ KIT P10721 1/20 0.43

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
SCHEMBL12065587 0.87 TNNI3K (0.78) TNNI3KBRAF
SCHEMBL12065586 0.87 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067164 0.84 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12065588 0.82 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL9985710 0.77 TNNI3K (0.47) TNNI3KBRAF
SCHEMBL12066386 0.74 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL6883908 0.73 TNNI3K (0.72) TNNI3KBRAF
SCHEMBL12065583 0.73 BRAF (0.60) TNNI3KBRAFKIT
SCHEMBL12067158 0.72 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067153 0.71 TNNI3K (1.00) 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
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