SCHEMBL19981813

SCHEMBL19981813

Cc1c(C(=N)/C=C(/Nc2cc(C)n(C)n2)C(N)=O)ccc(F)c1NC(=O)c1cc2cc(Br)ccc2s1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.36
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BMX P51813 1/20 0.36
RAB9A P51151 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 2/20 0.33
L3MBTL1 Q9Y468 2/20 0.33
CLK1 P49759 2/20 0.33
STIM1 Q13586 2/20 0.31
ORAI1 Q96D31 2/20 0.31
KDM4E B2RXH2 1/20 0.31
GAA P10253 1/20 0.31
FLT3 P36888 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
SCHEMBL19981966 0.95 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL19981932 0.93 CLK1 (0.38) BTKFGRSRCTECBMX
SCHEMBL19981793 0.90 CLK1 (0.42) BTKFGRSRCTECBMX
SCHEMBL19981750 0.88 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL19981969 0.88 HDAC3 (0.38) BTKFGRSRCTECBMX
SCHEMBL19981562 0.83 SLC9A1 (0.36) BTKFGRSRCTECBMX
SCHEMBL19981978 0.80 BTK (0.32) BTKFGRSRCTECBMX
SCHEMBL19981725 0.80 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL12025148 0.79 BTK (0.43) BTKFGRSRCTECBMX
SCHEMBL19981565 0.77 ALDH1A1 (0.38) LMNA

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