SCHEMBL19981536

SCHEMBL19981536

CCCN(C)C(C)c1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(O)cccc5s4)c3)n[nH]c2=O)nc1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
BTK Q06187 10/20 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
OPRM1 P35372 1/20 0.30

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
SCHEMBL19981863 0.83 BTK (0.44) BTKFGRSRCTECBMX
SCHEMBL19981880 0.80 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL9986674 0.80 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2461827 0.79 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2490923 0.78 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL2463872 0.77 BTK (0.59) BTKFGRSRCTECBMX
SCHEMBL2462161 0.74 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL19981771 0.74 BTK (0.50) BTKFGRSRCTECBMX
SCHEMBL2492181 0.73 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2463870 0.73 BTK (0.61) 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