SCHEMBL19981769

SCHEMBL19981769

CCCCN(C)c1cc(Nc2cc3n(n2)CCN(C)C3)c(=O)[nH]n1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
BTK Q06187 18/20 0.43
FGR P09769 1/20 0.41
SRC P12931 1/20 0.41
TEC P42680 1/20 0.41
BMX P51813 1/20 0.41
SYK P43405 1/20 0.38
ROCK2 O75116 1/20 0.32
ROCK1 Q13464 1/20 0.32

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
SCHEMBL174117 0.78 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL16357030 0.65 BTK (0.47) BTKFGRSRCTECBMX
SCHEMBL10262845 0.65 BTK (0.49) BTKFGRSRCTECBMX
SCHEMBL255155 0.64 BTK (0.43) BTKFGRSRCTECBMX
SCHEMBL21769199 0.64 BTK (0.43) BTKFGRSRCTECBMX
SCHEMBL2492552 0.63 BTK (0.60) BTKFGRSRCTECBMX
SCHEMBL14929644 0.62 BTK (0.44) BTKFGRSRCTECBMX
SCHEMBL2493234 0.62 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2492310 0.62 BTK (0.76) BTKFGRSRCTECBMX
SCHEMBL2495491 0.62 BTK (0.69) 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