SCHEMBL19981793

SCHEMBL19981793

COc1ccc2sc(C(=O)Nc3c(F)ccc(C(=N)/C=C(/Nc4cc(C)n(C)n4)C(N)=O)c3C)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 18/20 0.42
CLK2 P49760 6/20 0.39
CLK4 Q9HAZ1 3/20 0.38
DYRK1A Q13627 2/20 0.38
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BMX P51813 1/20 0.36
BTK Q06187 1/20 0.36
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL19981932 0.91 CLK1 (0.38) CLK1DYRK1AFGRSRCTEC
SCHEMBL19981813 0.90 BTK (0.36) CLK1FGRSRCTECBMX
SCHEMBL19981750 0.87 BTK (0.37) CLK1FGRSRCTECBMX
SCHEMBL19981969 0.87 HDAC3 (0.38) FGRSRCTECBMXBTK
SCHEMBL19981966 0.86 BTK (0.37) FGRSRCTECBMXBTK
SCHEMBL19981562 0.81 SLC9A1 (0.36) FGRSRCTECBMXBTK
SCHEMBL19981978 0.79 BTK (0.32) FGRSRCTECBMXBTK
SCHEMBL19981725 0.79 BTK (0.45) FGRSRCTECBMXBTK
SCHEMBL12025148 0.78 BTK (0.43) FGRSRCTECBMXBTK
SCHEMBL19981565 0.76 ALDH1A1 (0.38)

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