SCHEMBL19981942

SCHEMBL19981942

CN1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)C5=CC6CC=CC=C6S5)c4CO)n[nH]c3=O)cc2C1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.58
FGR P09769 1/20 0.58
SRC P12931 1/20 0.58
TEC P42680 1/20 0.58
BMX P51813 1/20 0.58

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
SCHEMBL19981859 0.90 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL19981699 0.88 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL9985107 0.81 BTK (0.83) BTKFGRSRCTECBMX
SCHEMBL2491347 0.81 BTK (0.86) BTKFGRSRCTECBMX
SCHEMBL19981718 0.74 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL9985186 0.74 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL12026016 0.74 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2491369 0.73 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL9984772 0.73 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2495852 0.72 BTK (0.79) 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