SCHEMBL5823795

SCHEMBL5823795

CCOCc1nc2c(N)nc3c(Br)ccnc3c2n1CC(C)C

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.56
TLR8 Q9NR97 11/20 0.42
NUDT1 P36639 1/20 0.41
ADORA3 P0DMS8 1/20 0.36
ADORA2A P29274 1/20 0.36
ADORA2B P29275 1/20 0.36
ADORA1 P30542 1/20 0.36

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
SCHEMBL4155960 0.82 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL5823792 0.80 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL1490971 0.78 TLR7 (0.63) TLR7TLR8NUDT1
SCHEMBL3865770 0.76 TLR7 (0.78) TLR7TLR8NUDT1
SCHEMBL29977522 0.75 TLR7 (0.74) TLR7TLR8NUDT1ADORA2A
SCHEMBL893024 0.75 TLR7 (0.74) TLR7TLR8NUDT1ADORA2A
SCHEMBL4393435 0.75 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL3864304 0.73 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL1486429 0.72 TLR7 (0.79) TLR7TLR8NUDT1
SCHEMBL1490440 0.72 TLR7 (0.58) TLR7TLR8NUDT1

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-2006038923-A2 ARYL SUBSTITUTED IMIDAZONAPHTHYRIDINES 3M INNOVATIVE PROPERTIES COMPANY (US) 2006-04-13 WO disclosed