SCHEMBL19981684

SCHEMBL19981684

NCc1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)=CCCC=5)c3)n[nH]c2=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 11/20 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
PARP1 P09874 7/20 0.33
GSK3B P49841 1/20 0.33
TYK2 P29597 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
SCHEMBL19981771 0.86 BTK (0.50) BTKFGRSRCTECBMX
SCHEMBL19981777 0.86 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL19981660 0.82 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL19981864 0.82 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL2462161 0.80 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL19981682 0.79 BTK (0.51) BTKFGRSRCTECBMX
SCHEMBL2463870 0.79 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL19981754 0.78 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2467451 0.78 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2491712 0.77 BTK (0.63) 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