SCHEMBL19981855

SCHEMBL19981855

Cc1ccc(C2=NC(=O)C(Nc3ccc(N4CC(C)(O)C4)cn3)=C2)c(F)c1NC(=O)c1cc2ccccc2s1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.44
FGR P09769 1/20 0.36
SRC P12931 1/20 0.36
TEC P42680 1/20 0.36
BMX P51813 1/20 0.36
MAPK9 P45984 2/20 0.33
MAPK14 Q16539 2/20 0.33
F10 P00742 1/20 0.33
BCL6 P41182 1/20 0.33
BACE1 P56817 2/20 0.32
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32
SLC2A1 P11166 1/20 0.32
TMIGD3 P0DMS9 2/20 0.32
ADORA1 P30542 2/20 0.32
STAT1 P42224 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 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
SCHEMBL2491658 0.83 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2491884 0.75 BTK (0.64) BTKFGRSRCTECBMX
SCHEMBL2462583 0.74 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2495237 0.74 BTK (0.52) BTKFGRSRCTECBMX
SCHEMBL2493454 0.69 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL9984996 0.68 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL19981920 0.67 BTK (0.39) BTKFGRSRCTECBMX
SCHEMBL2490839 0.67 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2491968 0.67 BTK (0.53) BTKFGRSRCTECBMX
SCHEMBL2491746 0.67 BTK (0.53) 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