SCHEMBL19981529

SCHEMBL19981529

Cc1cc(Nc2cc(-c3ccc(F)c(NCc4cc5ccccc5s4)c3)n[nH]c2=O)nn1CCO

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.51
FGR P09769 1/20 0.42
SRC P12931 1/20 0.42
TEC P42680 1/20 0.42
BMX P51813 1/20 0.42
SYK P43405 2/20 0.37
PTGS2 P35354 2/20 0.36
KDM4C Q9H3R0 1/20 0.34
MAPK14 Q16539 1/20 0.33
ACLY P53396 1/20 0.32

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
SCHEMBL2489592 0.86 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL2489542 0.76 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2492835 0.75 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL9985006 0.74 BTK (0.54) BTKFGRSRCTECBMX
SCHEMBL2492464 0.73 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2462204 0.70 BTK (0.83) BTKFGRSRCTECBMX
SCHEMBL9984366 0.70 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2489386 0.70 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2490637 0.69 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL9984235 0.69 BTK (0.66) 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