SCHEMBL6105785

SCHEMBL6105785

CCOCc1nc2c(N)nc3cc(-c4cccnc4)ccc3c2n1Cc1ccc(CN(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 20/20 0.50
▸ TLR8 Q9NR97 13/20 0.50
▸ NUDT1 P36639 1/20 0.47

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
SCHEMBL3865809 0.86 TLR7 (0.52) TLR7TLR8NUDT1
SCHEMBL3865474 0.86 TLR7 (0.57) TLR7TLR8NUDT1
SCHEMBL6104103 0.85 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL6104748 0.83 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL3862595 0.82 TLR7 (0.46) TLR7TLR8NUDT1
SCHEMBL29373958 0.82 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL3862215 0.82 TLR7 (0.69) TLR7TLR8NUDT1
SCHEMBL3868448 0.81 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL3861997 0.79 TLR8 (0.57) TLR7TLR8NUDT1
SCHEMBL29507673 0.79 TLR7 (0.49) 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-7091214-B2 Aryl substituted Imidazoquinolines 3M INNOVATIVE PROPERTIES CO. (US) 2006-08-15 — — US disclosed
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