SCHEMBL19981920

SCHEMBL19981920

Cc1ccc(C(=N)/C=C(/Nc2ccc(N3CCCC(F)(F)C3)cn2)C(N)=O)c(F)c1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 5/20 0.39
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
HTR1A P08908 1/20 0.33
F10 P00742 1/20 0.33
SYK P43405 2/20 0.32
BACE1 P56817 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
EP300 Q09472 2/20 0.32
DGAT1 O75907 1/20 0.31
CHRNA7 P36544 2/20 0.31
HTR3A P46098 2/20 0.31
BCL6 P41182 1/20 0.31
MYC P01106 1/20 0.31
WDR5 P61964 1/20 0.31
KIF18A Q8NI77 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
SCHEMBL13363457 0.89 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL19981918 0.76 EP300 (0.34) SYKEP300
SCHEMBL2462583 0.74 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2495237 0.74 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL19981725 0.71 BTK (0.45) BTKFGRSRCTECBMX
SCHEMBL19981855 0.67 BTK (0.44) BTKFGRSRCTECBMX
SCHEMBL2491658 0.67 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL19971531 0.65 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL19981750 0.64 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL19981932 0.64 CLK1 (0.38) 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