SCHEMBL2511060

SCHEMBL2511060

Cn1cccc1-c1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)CC(C)(C)[C@H]5O)c3)n[nH]c2=O)nc1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.49
FGR P09769 1/20 0.37
SRC P12931 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
KIT P10721 1/20 0.31
TP53 P04637 1/20 0.31
MAPT P10636 1/20 0.31
WDR5 P61964 1/20 0.30

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
SCHEMBL2513754 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2468755 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984623 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9985008 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984930 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2464118 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2461867 0.83 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2463590 0.83 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2464638 0.83 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL9984875 0.74 BTK (0.47) 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 claimed
WO-2010056875-A1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS CGI PHARMACEUTICALS, INC. (US) 2010-05-20 WO claimed