SCHEMBL19981765

SCHEMBL19981765

Cc1cc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)=CCCC=5O)c3)n[nH]c2=O)nn1C

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.53
FGR P09769 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
BMX P51813 1/20 0.41
MAPT P10636 2/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.33
PARP1 P09874 1/20 0.31
ROCK1 Q13464 1/20 0.31

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
SCHEMBL2491965 0.83 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL2489542 0.82 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2492502 0.81 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2490923 0.81 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL2490972 0.80 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2493844 0.80 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL12025215 0.79 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2491925 0.78 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL19981865 0.78 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL19981754 0.77 BTK (0.55) 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