SCHEMBL19981534

SCHEMBL19981534

CN1CCn2nc(Nc3cc(-c4ccc(F)c(CNC(=O)c5ccc(C(C)(C)O)cc5)c4)n[nH]c3=O)cc2C1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.61
FGR P09769 1/20 0.49
SRC P12931 1/20 0.49
TEC P42680 1/20 0.49
BMX P51813 1/20 0.49
ROCK2 O75116 1/20 0.43
ROCK1 Q13464 1/20 0.43
CTSS P25774 1/20 0.34

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
SCHEMBL9984872 0.89 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL2492310 0.83 BTK (0.76) BTKFGRSRCTECBMX
SCHEMBL9985051 0.82 BTK (0.67) BTKFGRSRCTECBMX
SCHEMBL2493234 0.82 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL9984886 0.82 BTK (0.66) BTKFGRSRCTECBMX
SCHEMBL2492220 0.81 BTK (0.65) BTKFGRSRCTECBMX
SCHEMBL2495491 0.79 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL2528193 0.78 BTK (0.69) BTKFGRSRCTECBMX
SCHEMBL2490380 0.77 BTK (0.71) BTKFGRSRCTECBMX
SCHEMBL9984772 0.76 BTK (1.00) 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