SCHEMBL19981652

SCHEMBL19981652

Cc1c(NC(=O)c2cnc(C(C)(C)C)cn2)cccc1C(=N)/C=C(/Nc1cc2n(n1)CCN(C)C2)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BTK Q06187 15/20 0.52
FGR P09769 1/20 0.35
SRC P12931 1/20 0.35
TEC P42680 1/20 0.35
BMX P51813 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34
F10 P00742 1/20 0.33
HDAC3 O15379 1/20 0.32
LMNA P02545 1/20 0.31

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
SCHEMBL2490510 0.76 BTK (0.79) BTKFGRSRCTECBMX
SCHEMBL19981648 0.70 BTK (0.37) BTKFGRSRCTECBMX
SCHEMBL9985394 0.70 BTK (0.70) BTKFGRSRCTECBMX
SCHEMBL2489531 0.69 BTK (0.72) BTKFGRSRCTECBMX
SCHEMBL9984639 0.69 BTK (1.00) BTKFGRSRCTECBMX
SCHEMBL2492395 0.68 BTK (0.87) BTKFGRSRCTECBMX
SCHEMBL2493674 0.67 BTK (0.77) BTKFGRSRCTECBMX
SCHEMBL2492191 0.67 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL19981651 0.66 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL9985014 0.64 BTK (0.80) 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