SCHEMBL19981981

SCHEMBL19981981

Cn1nc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)CC(C)(C)[C@@H]5F)c3)n[nH]c2=O)cc1CN1CCC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 14/20 0.52
FGR P09769 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
BMX P51813 1/20 0.39
TP53 P04637 1/20 0.30
MAPT P10636 1/20 0.30
PARP1 P09874 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
SCHEMBL2492129 1.00 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2489760 0.90 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL9984473 0.90 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL9985937 0.90 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL2488913 0.86 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL9984471 0.85 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL9985016 0.85 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL2490951 0.85 BTK (0.40) BTKFGRSRCTECBMX
SCHEMBL19981754 0.83 BTK (0.55) BTKFGRSRCTECBMX
SCHEMBL2490213 0.83 BTK (0.39) BTK

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