SCHEMBL19981854

SCHEMBL19981854

O=C(Cc1cc2c(s1)CCC2O)Nc1cc(-c2cc(Nc3cc4n(n3)CCNC4)c(=O)[nH]n2)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.47
FGR P09769 1/20 0.37
SRC P12931 1/20 0.37
TEC P42680 1/20 0.37
BMX P51813 1/20 0.37
PARP1 P09874 7/20 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
SCHEMBL2495238 0.89 BTK (0.57) BTKFGRSRCTECBMX
SCHEMBL2491538 0.85 BTK (0.56) BTKFGRSRCTECBMX
SCHEMBL2492441 0.78 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2465016 0.78 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2495250 0.78 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2491768 0.76 BTK (0.79) BTKFGRSRCTECBMX
SCHEMBL2491637 0.74 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2489648 0.74 BTK (0.71) BTKFGRSRCTECBMX
SCHEMBL2492502 0.73 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL19981787 0.72 BTK (0.41) 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