SCHEMBL19981785

SCHEMBL19981785

CC1(C)C=CC(c2cc(Nc3cc4n(n3)CCOC4)c(=O)[nH]n2)=C(F)C1NC(=O)c1cc2c(s1)CC(C)(C)C2O

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 12/20 0.39
FGR P09769 1/20 0.38
SRC P12931 1/20 0.38
TEC P42680 1/20 0.38
BMX P51813 1/20 0.38
SYK P43405 2/20 0.31
MAP3K14 Q99558 1/20 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
SCHEMBL2489139 0.82 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL2493101 0.82 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL2488645 0.82 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL12026109 0.81 BTK (0.59) BTKFGRSRCTECBMX
SCHEMBL19981747 0.80 BTK (0.35) BTKFGRSRCTECBMX
SCHEMBL19981783 0.78 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL9986846 0.71 BTK (0.74) BTKFGRSRCTECBMX
SCHEMBL9985088 0.71 BTK (0.74) BTKFGRSRCTECBMX
SCHEMBL9984573 0.71 BTK (0.74) BTKFGRSRCTECBMX
SCHEMBL9985859 0.70 BTK (0.62) 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