SCHEMBL19981682

SCHEMBL19981682

O=C(Nc1cc(-c2cc(Nc3ccn(C4CNC4)n3)c(=O)[nH]n2)ccc1F)c1cc2c(s1)=CCCC=2

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.51
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
BMX P51813 1/20 0.38
PAICS P22234 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
SCHEMBL2491509 0.87 BTK (0.65) BTKFGRSRCTECBMX
SCHEMBL19981684 0.79 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981754 0.78 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL19981771 0.78 BTK (0.50) BTKFGRSRCTECBMX
SCHEMBL19981660 0.77 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981777 0.76 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL19981864 0.75 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL19981765 0.72 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2492835 0.72 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2467544 0.70 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 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