SCHEMBL19981771

SCHEMBL19981771

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

nearest known ligand 0.50

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.50
FGR P09769 1/20 0.37
SRC P12931 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
MAPK1 P28482 4/20 0.31
PARP1 P09874 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
SCHEMBL19981684 0.86 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL9986674 0.86 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL19981660 0.83 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981864 0.81 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL19981777 0.80 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL19981682 0.78 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981754 0.77 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL19981880 0.77 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL19981784 0.75 BTK (0.47) BTKFGRSRCTECBMX
SCHEMBL19981536 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2365970-B1 PYRIDAZINONES AND THEIR USE AS BTK INHIBITORS GILEAD CONNECTICUT INC (US) 2018-03-21 EP disclosed