SCHEMBL1490843

SCHEMBL1490843

CCOCc1nc2cnc3cc(Br)cnc3c2n1CC(C)(C)N(C(=O)O)C(C)(C)C

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.37
TLR8 Q9NR97 12/20 0.37
NUDT1 P36639 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
SCHEMBL1490927 0.87 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL6105276 0.87 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL1490902 0.84 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL5149609 0.84 TLR7 (0.38) TLR7TLR8NUDT1
SCHEMBL1490798 0.82 TLR7 (0.42) TLR7TLR8NUDT1
SCHEMBL3170219 0.77 ALDH1A1 (0.35) TLR7TLR8NUDT1
SCHEMBL6106262 0.77 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL1486822 0.76 NMT1 (0.42) TLR7TLR8NUDT1
SCHEMBL1486625 0.76 TLR7 (0.40) TLR7TLR8NUDT1
SCHEMBL1490828 0.76 TLR7 (0.45) 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
US-7897609-B2 Aryl substituted imidazonaphthyridines 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-03-01 US disclosed