SCHEMBL19971496

SCHEMBL19971496

CN1CCn2nc(Nc3cc(-c4ccc(F)c(NC(=O)c5cc6c(s5)CC[C@@H](O)[C@@H]6O)c4)n[nH]c3=O)cc2C1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BTK Q06187 20/20 0.71
FGR P09769 1/20 0.55
SRC P12931 1/20 0.55
TEC P42680 1/20 0.55
BMX P51813 1/20 0.55

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
SCHEMBL2489528 1.00 BTK (0.71) BTKFGRSRCTECBMX
SCHEMBL2465016 0.94 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2492441 0.94 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2495250 0.94 BTK (0.73) BTKFGRSRCTECBMX
SCHEMBL2489648 0.91 BTK (0.71) BTKFGRSRCTECBMX
SCHEMBL12026082 0.90 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2528882 0.89 BTK (0.72) BTKFGRSRCTECBMX
SCHEMBL2489319 0.89 BTK (0.72) BTKFGRSRCTECBMX
SCHEMBL2488067 0.86 BTK (0.78) BTKFGRSRCTECBMX
SCHEMBL2494796 0.84 BTK (0.77) 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