SCHEMBL19981880

SCHEMBL19981880

CC(CN(C)C)c1ccc(Nc2cc(-c3ccc(F)c(NC(=O)c4cc5ccccc5s4)c3)n[nH]c2=O)nc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.58
FGR P09769 1/20 0.44
SRC P12931 1/20 0.44
TEC P42680 1/20 0.44
BMX P51813 1/20 0.44
OPRM1 P35372 7/20 0.39
HDAC1 Q13547 1/20 0.37
OPRD1 P41143 1/20 0.36
OPRL1 P41146 1/20 0.36
BCL6 P41182 1/20 0.34
DHPS P49366 1/20 0.34
TMIGD3 P0DMS9 1/20 0.33
ADORA1 P30542 1/20 0.33
STAT1 P42224 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33
F10 P00742 1/20 0.33

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
SCHEMBL9986674 0.90 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2462161 0.85 BTK (0.63) BTKFGRSRCTECBMX
SCHEMBL2463872 0.84 BTK (0.59) BTKFGRSRCTECBMX
SCHEMBL2463870 0.84 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2527943 0.82 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2493503 0.81 BTK (0.61) BTKFGRSRCTECBMX
SCHEMBL2465846 0.81 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2467451 0.81 BTK (0.58) BTKFGRSRCTECBMX
SCHEMBL2467544 0.81 BTK (0.62) BTKFGRSRCTECBMX
SCHEMBL2490468 0.81 BTK (0.62) 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