SCHEMBL8211643

SCHEMBL8211643

O=C(N[C@H]1CCCNC1)c1ccnc2[nH]c(-c3ccc(N4CCOCC4)s3)nc12

nearest known ligand 0.79

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 20/20 0.79

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
SCHEMBL8211661 1.00 PBK (0.79) PBK
SCHEMBL8211580 0.93 PBK (0.78) PBK
SCHEMBL8211571 0.93 PBK (0.78) PBK
SCHEMBL8214260 0.88 PBK (0.79) PBK
SCHEMBL8219096 0.88 PBK (0.79) PBK
SCHEMBL8223100 0.88 PBK (0.79) PBK
SCHEMBL8214377 0.87 PBK (0.79) PBK
SCHEMBL8221401 0.87 PBK (0.79) PBK
SCHEMBL8214353 0.86 PBK (0.79) PBK
SCHEMBL8214344 0.86 PBK (0.79) 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 disclosed
WO-2011002772-A1 IMIDAZOPYRIDINE DERIVATIVES AND PBK INHIBITORS CONTAINING THE SAME ONCOTHERAPY SCIENCE, INC. (JP) 2011-01-06 WO disclosed