SCHEMBL16013231

SCHEMBL16013231

Cc1c(-c2cccc(N3CCc4cc(C(C)(C)C)ncc4C3=O)c2CO)n[nH]c(=O)c1Nc1ccc(C(=O)N2CCOCC2)cn1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.70
CLK2 P49760 1/20 0.44
KDM4E B2RXH2 1/20 0.41
RAB9A P51151 1/20 0.41
SRC P12931 1/20 0.38

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
SCHEMBL16013281 0.83 BTK (1.00) BTKCLK2
SCHEMBL16013528 0.82 BTK (1.00) BTKCLK2
SCHEMBL2462020 0.80 BTK (0.66) BTKCLK2SRC
SCHEMBL16014992 0.79 BTK (0.61) BTKCLK2KDM4ERAB9A
SCHEMBL3671891 0.75 BTK (0.56) BTK
SCHEMBL16014404 0.74 BTK (0.83) BTKCLK2KDM4ERAB9A
SCHEMBL3655714 0.74 BTK (0.66) BTKCLK2SRC
SCHEMBL3674873 0.74 BTK (0.58) BTKCLK2KDM4ERAB9A
SCHEMBL1724202 0.74 BTK (0.84) BTKCLK2
SCHEMBL16014325 0.74 BTK (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2964642-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2016-01-13 EP disclosed
WO-2014135474-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2014-09-12 WO disclosed