SCHEMBL16024329

SCHEMBL16024329

Cn1nc(-c2cccc(N3CCCCc4cc(C(C)(C)C)ccc4C3=O)c2CO)cc(Nc2ccc(C(=O)N3CCOCC3)cn2)c1=O

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 19/20 0.81
CLK2 P49760 1/20 0.56

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
SCHEMBL16013697 0.89 BTK (1.00) BTKCLK2
SCHEMBL16014706 0.89 BTK (1.00) BTKCLK2
SCHEMBL18895727 0.88 BTK (0.81) BTKCLK2
SCHEMBL16013281 0.88 BTK (1.00) BTKCLK2
SCHEMBL3205568 0.85 BTK (0.78) BTKCLK2
SCHEMBL1724202 0.85 BTK (0.84) BTKCLK2
SCHEMBL9985437 0.83 BTK (0.79) BTKCLK2
SCHEMBL15577291 0.82 BTK (0.81) BTKCLK2
SCHEMBL19593991 0.81 BTK (0.86) BTKCLK2
SCHEMBL19594126 0.81 BTK (0.85) 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-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed