SCHEMBL12067153

SCHEMBL12067153

CNS(=O)(=O)c1cccc(Nc2ncnc3[nH]c(-c4cccc(C)c4)cc23)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TNNI3K Q59H18 20/20 1.00
▸ BRAF P15056 17/20 1.00
▸ EGFR P00533 1/20 0.57

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
SCHEMBL12066467 0.94 TNNI3K (0.89) TNNI3KBRAFEGFR
SCHEMBL12067119 0.91 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067158 0.91 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067115 0.87 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067160 0.87 TNNI3K (0.77) TNNI3KBRAF
SCHEMBL12067164 0.87 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067165 0.86 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12067162 0.84 TNNI3K (0.80) TNNI3KBRAFEGFR
SCHEMBL12067149 0.84 TNNI3K (1.00) TNNI3KBRAF
SCHEMBL12066457 0.83 TNNI3K (0.81) TNNI3KBRAFEGFR

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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