SCHEMBL8235149

SCHEMBL8235149

NC(=O)C1CCCN(c2ccnc3[nH]ccc23)C1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PBK Q96KB5 2/20 1.00
AKT2 P31751 3/20 0.57
NUDT1 P36639 3/20 0.49
LRRK2 Q5S007 1/20 0.47
GSK3B P49841 1/20 0.47
JAK3 P52333 6/20 0.46
JAK2 O60674 3/20 0.46
JAK1 P23458 2/20 0.46
DOT1L Q8TEK3 2/20 0.46
ATR Q13535 1/20 0.45
ATRIP Q8WXE1 1/20 0.45
AKT1 P31749 2/20 0.45
BTK Q06187 1/20 0.43

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
SCHEMBL3955342 0.82 PBK (0.70) PBKAKT2LRRK2GSK3BJAK3
SCHEMBL8229325 0.82 PBK (1.00) PBKAKT2NUDT1GSK3BJAK3
SCHEMBL2105753 0.79 PBK (0.65) PBKLRRK2JAK3JAK2JAK1
SCHEMBL29869963 0.77 PBK (0.70) PBKAKT2DOT1L
SCHEMBL12605440 0.77 AKT2 (0.70) PBKAKT2NUDT1GSK3BJAK3
SCHEMBL7851332 0.76 PBK (0.60) PBKLRRK2JAK3JAK2JAK1
SCHEMBL12696600 0.75 PBK (0.60) PBKAKT2JAK2JAK1DOT1L
SCHEMBL15421894 0.75 PBK (0.60) PBKAKT2JAK2JAK1DOT1L
SCHEMBL15422005 0.75 PBK (0.60) PBKAKT2JAK2JAK1DOT1L
SCHEMBL12605530 0.75 AKT2 (0.68) PBKAKT2NUDT1GSK3BJAK3

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