SCHEMBL1725327

SCHEMBL1725327

CCNC(C)Cc1ccc(Nc2cc(-c3cccc(-n4ncc5cc(C(C)(C)C)cc(F)c5c4=O)c3CO)cn(C)c2=O)nc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.71
KCNH2 Q12809 1/20 0.52

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
SCHEMBL1726903 0.93 BTK (0.74) BTKKCNH2
SCHEMBL1728753 0.91 BTK (0.78) BTKKCNH2
SCHEMBL1728409 0.91 BTK (0.80) BTKKCNH2
SCHEMBL1726283 0.91 BTK (0.74) BTKKCNH2
SCHEMBL1726635 0.90 BTK (0.74) BTKKCNH2
SCHEMBL1726959 0.87 BTK (0.76) BTKKCNH2
SCHEMBL1729144 0.87 BTK (0.75) BTKKCNH2
SCHEMBL1726568 0.87 BTK (0.79) BTKKCNH2
SCHEMBL1724931 0.86 BTK (0.78) BTKKCNH2
SCHEMBL1724915 0.86 BTK (0.82) BTKKCNH2

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-2403846-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. Hoffmann-La Roche AG (CH) 2012-01-11 EP disclosed
WO-2010100070-A1 INHIBITORS OF BRUTON'S TYROSINE KINASE F. HOFFMANN-LA ROCHE AG (CH) 2010-09-10 WO disclosed