SCHEMBL2513754

SCHEMBL2513754

Cn1cccc1-c1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)CC[C@@H](O)C5)c3)n[nH]c2=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.48
FGR P09769 1/20 0.37
SRC P12931 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
WDR5 P61964 1/20 0.32

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
SCHEMBL2462198 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2468853 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984459 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2462193 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9985028 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2462328 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984873 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2511060 0.85 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2490972 0.84 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2464208 0.82 BTK (0.46) BTKFGRSRCTECBMX

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-2365970-A1 Pyridazinones and their use as btk inhibitors CGI Pharmaceuticals, Inc. (US) 2011-09-21 EP disclosed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO disclosed