SCHEMBL6104103

SCHEMBL6104103

CCOCc1nc2c(N)nc3cc(Br)ccc3c2n1Cc1ccc(CN(C(=O)O)C(C)(C)C)cc1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TLR7 Q9NYK1 19/20 0.58
▸ TLR8 Q9NR97 14/20 0.58
▸ NUDT1 P36639 1/20 0.50

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
SCHEMBL6105723 0.88 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL6106897 0.85 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL6108179 0.85 TLR8 (0.40) TLR7TLR8
SCHEMBL6105785 0.85 TLR7 (0.50) TLR7TLR8NUDT1
SCHEMBL30583583 0.84 TLR7 (0.62) TLR7TLR8NUDT1
SCHEMBL3865484 0.84 TLR7 (0.56) TLR7TLR8NUDT1
SCHEMBL6245365 0.84 TLR7 (0.58) TLR7TLR8NUDT1
SCHEMBL6106262 0.83 TLR7 (0.65) TLR7TLR8NUDT1
SCHEMBL31709549 0.82 TLR7 (0.61) TLR7TLR8NUDT1
SCHEMBL6104748 0.79 TLR7 (0.61) 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
Send feedback