SCHEMBL13187136

SCHEMBL13187136

CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccccn4)c(=O)n(C)c3)c1CO)C2=O

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 19/20 0.75

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
SCHEMBL3220060 0.91 BTK (0.71) BTK
SCHEMBL3212026 0.90 BTK (0.80) BTK
SCHEMBL3216274 0.89 BTK (0.79) BTK
SCHEMBL3222693 0.89 BTK (0.78) BTK
SCHEMBL1728752 0.88 BTK (0.71) BTK
SCHEMBL3212541 0.88 BTK (0.68) BTK
SCHEMBL3220381 0.88 BTK (0.72) BTK
SCHEMBL3212901 0.88 BTK (0.72) BTK
SCHEMBL3223351 0.88 BTK (0.69) BTK
SCHEMBL3203373 0.88 BTK (0.89) BTK

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-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 — — WO disclosed
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