SCHEMBL13439477

SCHEMBL13439477

CC(=O)Nc1ccc2ccnc(O)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.43
PTK2 Q05397 1/20 0.42
KDM4E B2RXH2 3/20 0.41
LMNA P02545 1/20 0.41
MAPK8 P45983 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
GAA P10253 2/20 0.39
ADORA2B P29275 2/20 0.39
HTR1F P30939 2/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
ADORA1 P30542 1/20 0.39
PIK3C3 Q8NEB9 3/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PRNP P04156 1/20 0.38

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
SCHEMBL13439478 0.77 KDM4E (0.41) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL8340280 0.75 KDM4E (0.51) CYP1A2KDM4ELMNAMAPK8L3MBTL1
SCHEMBL5632488 0.74 CYP1A2 (0.53) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL13439484 0.73 CYP1A2 (0.50) CYP1A2KDM4ELMNAMAPK8ADORA2B
SCHEMBL30311946 0.73 CYP1A2 (0.51) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL16685587 0.73 KDM4E (0.46) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL10200326 0.73 KDM4E (0.46) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL29013232 0.73 CYP1A2 (0.51) CYP1A2PTK2KDM4ELMNAMAPK8
SCHEMBL23714119 0.72 KDM4E (0.50) PTK2KDM4ELMNAMAPK8HSP90AA1
SCHEMBL28405620 0.72 KDM4E (0.46) PTK2KDM4ELMNAMAPK8HSP90AA1

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
US-7692011-B2 8-hydroxy and 8-mercapto quinazolinones PRANA BIOTECHNOLOGY LIMITED (AU) 2010-04-06 US disclosed