SCHEMBL12962425

SCHEMBL12962425

C=S1CCN(C(=O)c2ccc(Nc3nc(-c4cccc(NC(=O)c5ccc(C(C)(C)C)cc5)c4C)cn(C)c3=O)cc2N)CC1

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.69

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
SCHEMBL1068699 0.92 BTK (0.82) BTK
SCHEMBL1068791 0.92 BTK (0.70) BTK
SCHEMBL1066569 0.92 BTK (0.70) BTK
SCHEMBL1068821 0.91 BTK (0.69) BTK
SCHEMBL1069547 0.90 BTK (0.67) BTK
SCHEMBL1069049 0.90 BTK (0.67) BTK
SCHEMBL1068795 0.87 BTK (0.66) BTK
SCHEMBL1069957 0.85 BTK (0.70) BTK
SCHEMBL1066488 0.84 BTK (0.68) BTK
SCHEMBL1069047 0.84 BTK (0.82) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2270200-A2 Kinase inhibitors, and methods of using and identifying kinase inhibitors CGI Pharmaceuticals, Inc. (US) 2011-01-05 EP disclosed
WO-2008033858-A2 KINASE INHIBITORS, AND METHODS OF USING AND IDENTIFYING KINASE INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2008-03-20 WO disclosed