SCHEMBL2519798

SCHEMBL2519798

CCC1C(c2ccc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6ccccc6s5)c4)n[nH]c3=O)nc2)CN1CC

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 0.58
FGR P09769 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
BMX P51813 1/20 0.44
BCL6 P41182 1/20 0.39
PRKCB P05771 1/20 0.34
HDAC1 Q13547 1/20 0.34
F10 P00742 1/20 0.33
CCR8 P51685 1/20 0.32
DHPS P49366 1/20 0.32
KIT P10721 1/20 0.32
TMIGD3 P0DMS9 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
PARP1 P09874 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
SCHEMBL2461953 0.86 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL2467544 0.85 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2461862 0.84 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2491555 0.83 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2462150 0.83 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2462161 0.82 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2463870 0.80 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2491712 0.80 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2527943 0.80 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL9986674 0.80 BTK (0.62) 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