SCHEMBL19981896

SCHEMBL19981896

CCc1sc(C(=O)Nc2cccc(-c3cc(Nc4cc5n(n4)CCN(C)C5)c(=O)[nH]n3)c2C)cc1C

nearest known ligand 0.78

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.78
FGR P09769 1/20 0.62
SRC P12931 1/20 0.62
TEC P42680 1/20 0.62
BMX P51813 1/20 0.62
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL2491124 0.87 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2488966 0.83 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2490510 0.81 BTK (0.79) BTKFGRSRCTECBMX
SCHEMBL2492201 0.81 BTK (0.84) BTKFGRSRCTECBMX
SCHEMBL9985059 0.80 BTK (0.71) BTKFGRSRCTECBMX
SCHEMBL9985704 0.79 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2491770 0.79 BTK (0.81) BTKFGRSRCTECBMX
SCHEMBL19981800 0.78 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL2494841 0.78 BTK (0.80) BTKFGRSRCTECBMX
SCHEMBL2492848 0.77 BTK (0.63) 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