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Sugi Predict / Compounds / SCHEMBL13154174

SCHEMBL13154174

SCHEMBL13154174

Cn1cc(-c2cccc(N3COc4cc(C(C)(C)C)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.73
▸ CLK2 P49760 1/20 0.71

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
SCHEMBL707851 0.95 BTK (0.80) BTKCLK2
SCHEMBL1724202 0.90 BTK (0.84) BTKCLK2
SCHEMBL3066210 0.88 BTK (0.72) BTKCLK2
SCHEMBL3063516 0.85 BTK (0.72) BTKCLK2
SCHEMBL13092695 0.85 BTK (0.72) BTKCLK2
SCHEMBL3211627 0.85 BTK (0.81) BTKCLK2
SCHEMBL700803 0.85 BTK (0.67) BTKCLK2
SCHEMBL3212147 0.85 BTK (0.80) BTKCLK2
SCHEMBL3224789 0.85 BTK (0.82) BTKCLK2
SCHEMBL710901 0.85 BTK (0.81) BTKCLK2

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-2010122038-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-10-28 — — WO disclosed