SCHEMBL8219752

SCHEMBL8219752

O=C(NCC1CNC1)c1ccnc2[nH]c(-c3cccs3)nc12

nearest known ligand 0.74

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 20/20 0.74

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
SCHEMBL8212430 0.92 PBK (0.77) PBK
SCHEMBL8219133 0.92 PBK (0.77) PBK
SCHEMBL8212429 0.92 PBK (0.77) PBK
SCHEMBL12963890 0.88 PBK (0.75) PBK
SCHEMBL8221602 0.85 PBK (0.77) PBK
SCHEMBL8221791 0.84 PBK (0.77) PBK
SCHEMBL8219854 0.84 PBK (0.77) PBK
SCHEMBL8219842 0.84 PBK (0.77) PBK
SCHEMBL2338665 0.84 PBK (1.00) PBK
SCHEMBL8224393 0.83 PBK (0.76) PBK

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO claimed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed