SCHEMBL8216337

SCHEMBL8216337

O=C(N[C@@H]1CCCNC1)c1ccnc2[nH]c(-c3cccs3)nc12

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 20/20 0.75

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
SCHEMBL8216352 1.00 PBK (0.75) PBK
SCHEMBL8220998 1.00 PBK (0.75) PBK
SCHEMBL8221007 0.94 PBK (0.75) PBK
SCHEMBL12963877 0.85 PBK (0.76) PBK
SCHEMBL2333678 0.85 PBK (1.00) PBK
SCHEMBL2333669 0.85 PBK (1.00) PBK
SCHEMBL2336031 0.85 PBK (1.00) PBK
SCHEMBL8219842 0.85 PBK (0.77) PBK
SCHEMBL8219854 0.85 PBK (0.77) PBK
SCHEMBL8221791 0.85 PBK (0.77) 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 3 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
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed