SCHEMBL2465621

SCHEMBL2465621

C[C@@]1(c2ccc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6c(s5)CC[C@H](O)C6)c4)n[nH]c3=O)nc2)CCCN1

nearest known ligand 0.46

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.46
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35
TEC P42680 1/20 0.35
BMX P51813 1/20 0.35

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
SCHEMBL2464208 1.00 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2465023 1.00 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2459299 1.00 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2461624 1.00 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2462882 0.88 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL2465092 0.88 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL2464638 0.86 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2461867 0.86 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL2463590 0.86 BTK (0.46) BTKFGRSRCTECBMX
SCHEMBL9984873 0.84 BTK (0.48) 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 4 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
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