SCHEMBL4726210

SCHEMBL4726210

N#Cc1ccc2nc(N)cnc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC7 O00311 4/20 0.41
APP P05067 1/20 0.41
MAP4K4 O95819 3/20 0.40
NOS1 P29475 2/20 0.40
NOS3 P29474 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKACA P17612 1/20 0.40
LTK P29376 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40
CDK8 P49336 1/20 0.40
CLK2 P49760 1/20 0.40
CDK9 P50750 1/20 0.40
LIMK1 P53667 1/20 0.40
CDK5 Q00535 1/20 0.40
MAP2K1 Q02750 1/20 0.40
LRRK2 Q5S007 1/20 0.40
AURKB Q96GD4 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
ALK Q9UM73 1/20 0.40

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
SCHEMBL4726632 0.93 CDC7 (0.41) CDC7APPMAP4K4NOS1NOS3
SCHEMBL6422468 0.79 GRM5 (0.42) CSNK1A1HPGDSL3MBTL1GSK3BKDM4E
SCHEMBL1035242 0.79 ALDH1A1 (0.47) APPCSNK1A1HPGDSPIN1PIK3CA
SCHEMBL13668590 0.79 PIN1 (0.40) APPMAP4K4DAPK3PRKACALTK
SCHEMBL15690528 0.79 HTT (0.44) CDC7MAP4K4NOS1NOS3HPGDS
SCHEMBL11157078 0.75 HPGDS (0.47) CDC7APPMAP4K4DAPK3PRKACA
SCHEMBL15567034 0.74 ABCB1 (0.45) MAP4K4DAPK3PRKACALTKMAPK8
SCHEMBL5873739 0.74 PLAU (0.57) CDC7NOS1NOS3CDK2
SCHEMBL15197891 0.72 PIN1 (0.42) APPCSNK1A1PIN1GSK3BKDM4E
SCHEMBL622637 0.72 CDK5 (0.47) CDC7MAP4K4DAPK3PRKACALTK

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-2024220556-A2 HETEROCYCLIC SUMO1 SMALL MOLECULE DEGRADERS AND USE THEREOF HB THERAPEUTICS, INC. (US) 2024-10-24 WO disclosed
WO-2008015423-A1 QUINOLINE AND QUINOXALINE N-OXIDES AS CHK-1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed
WO-2008015423-A1 QUINOLINE AND QUINOXALINE N-OXIDES AS CHK-1 INHIBITORS SENTINEL ONCOLOGY LIMITED (GB) 2008-02-07 WO disclosed