SCHEMBL19981660

SCHEMBL19981660

CN1CCCC1c1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5c(s4)=CCCC=5)c3)n[nH]c2=O)nc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
BTK Q06187 16/20 0.51
FGR P09769 1/20 0.39
SRC P12931 1/20 0.39
TEC P42680 1/20 0.39
BMX P51813 1/20 0.39
MELK Q14680 2/20 0.38
CDK4 P11802 1/20 0.35
CCND1 P24385 1/20 0.35
MLLT1 Q03111 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
SCHEMBL2462150 0.88 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL9983983 0.86 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2461827 0.86 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL9984875 0.85 BTK (0.47) BTKFGRSRCTECBMX
SCHEMBL2466052 0.85 BTK (0.47) BTKFGRSRCTECBMX
SCHEMBL9985028 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984459 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL9984873 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2462198 0.85 BTK (0.48) BTKFGRSRCTECBMX
SCHEMBL2462193 0.85 BTK (0.48) 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