SCHEMBL19981492

SCHEMBL19981492

CN1CCn2nc(N/C(=C/C(=N)c3cccc(NC(=O)c4cc5c(s4)CC(C)(C)C5O)c3CO)C(N)=O)cc2C1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BTK Q06187 13/20 0.38
FGR P09769 1/20 0.34
SRC P12931 1/20 0.34
TEC P42680 1/20 0.34
BMX P51813 1/20 0.34
ROCK2 O75116 1/20 0.33
ROCK1 Q13464 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
SCHEMBL19981648 0.89 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL19981649 0.84 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL2492853 0.77 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL19981652 0.71 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL19981970 0.68 MELK (0.34) BTK
SCHEMBL19981902 0.67 BTK (0.30) BTK
SCHEMBL9985088 0.66 BTK (0.74) BTKFGRSRCTECBMX
SCHEMBL9986846 0.66 BTK (0.74) BTKFGRSRCTECBMX
SCHEMBL2492848 0.65 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2493660 0.65 BTK (0.36) 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