SCHEMBL8478807

SCHEMBL8478807

O=c1[nH]c2cc(Br)cnc2[nH]c1=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 2/20 0.72
PRKD3 O94806 2/20 0.72
MAP4K4 O95819 2/20 0.72
RET P07949 2/20 0.72
PIM1 P11309 2/20 0.72
KDR P35968 2/20 0.72
GSK3A P49840 2/20 0.72
GSK3B P49841 2/20 0.72
RPS6KA3 P51812 2/20 0.72
CDK5 Q00535 2/20 0.72
MAP4K2 Q12851 2/20 0.72
AURKB Q96GD4 2/20 0.72
CLK4 Q9HAZ1 2/20 0.72
AURKA O14965 1/20 0.72
DAPK3 O43293 1/20 0.72
JAK2 O60674 1/20 0.72
PAK4 O96013 1/20 0.72
ABL1 P00519 1/20 0.72
NTRK1 P04629 1/20 0.72
FYN P06241 1/20 0.72

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
SCHEMBL481676 0.84 DYRK1A (1.00) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL8482178 0.78 GRIN2D (0.50) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL8478545 0.76 GRIN2D (0.47) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL13384205 0.73 PRKD3 (0.41) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL8482774 0.72 JUN (0.43) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL13384203 0.72 PRKD3 (0.40) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL13384510 0.72 MAP4K4 (0.40) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL31017220 0.71 AURKA (0.46) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL30018711 0.71 ATAD2 (0.54) DYRK1APRKD3MAP4K4RETPIM1
SCHEMBL25604616 0.71 ATAD2 (0.54) DYRK1APRKD3MAP4K4RETPIM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5863916-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER-EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON (US) 1999-01-26 US disclosed
US-5620978-A 8-aza, 6-aza and 6,8-diaza-1,4-dihydroquinoxaline-2,3-diones and the use thereof as antagonists for the glycine/NMDA receptor STATE OF OREGON, ACTING BY AND THROUGH THE OREGON STATE BOARD OF HIGHER EDUCATION, ACTING FOR AND ON BEHALF OF THE OREGON HEALTH SCIENCES UNIVERSITY AND THE UNIVERSITY OF OREGON, EUGENE OREGON (US) 1997-04-15 US disclosed
EP-0743855-A1 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARMACEUTICALS, INC. (US) 1996-11-27 EP disclosed
WO-1995018616-A2 8-AZA, 6-AZA AND 6,8-DIAZA-1,4-DIHYDROQUINOXALINE-2,3-DIONES AND THE USE THEREOF AS ANTAGONISTS FOR THE GLYCINE/NMDA RECEPTOR ACEA PHARM INC (US) 1995-07-13 WO disclosed