SCHEMBL19971520

SCHEMBL19971520

Cc1c(-c2cc(Nc3cc4n(n3)CCN(CC(F)F)C4)c(=O)[nH]n2)ccc(F)c1NC(=O)C1=CC=C[SH]1Cc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.56
FGR P09769 1/20 0.56
SRC P12931 1/20 0.56
TEC P42680 1/20 0.56
BMX P51813 1/20 0.56
IRAK4 Q9NWZ3 1/20 0.33

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
SCHEMBL2494721 0.81 BTK (0.83) BTKFGRSRCTECBMX
SCHEMBL19971498 0.81 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2492093 0.79 BTK (0.83) BTKFGRSRCTECBMX
SCHEMBL9984685 0.74 BTK (0.85) BTKFGRSRCTECBMX
SCHEMBL9985194 0.74 BTK (0.85) BTKFGRSRCTECBMX
SCHEMBL9984180 0.73 BTK (0.83) BTKFGRSRCTECBMX
SCHEMBL2491369 0.72 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL9984772 0.72 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2547546 0.71 BTK (0.91) BTKFGRSRCTECBMX
SCHEMBL2491649 0.71 BTK (0.84) 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 claimed