SCHEMBL544696

SCHEMBL544696

CCCc1nc2c(N)nc3ccccc3c2n1CCCCNC(=O)NC(C)C

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 20/20 0.60
TLR8 Q9NR97 6/20 0.60

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
SCHEMBL14592739 0.91 TLR7 (0.63) TLR7TLR8
SCHEMBL5354706 0.88 TLR7 (0.61) TLR7TLR8
SCHEMBL3864150 0.88 TLR7 (0.52) TLR7TLR8
SCHEMBL5748525 0.88 TLR7 (0.64) TLR7TLR8
SCHEMBL5750314 0.88 TLR7 (0.64) TLR7TLR8
SCHEMBL6097027 0.88 TLR7 (0.74) TLR7TLR8
SCHEMBL6053069 0.88 TLR7 (0.58) TLR7TLR8
SCHEMBL14592757 0.87 TLR7 (0.73) TLR7TLR8
SCHEMBL13613793 0.86 TLR7 (0.58) TLR7TLR8
SCHEMBL14592863 0.86 TLR7 (0.72) TLR7TLR8

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8110582-B2 by administering immune response modifier compounds 3M INNOVATIVE PROPERTIES COMPANY (US) 2012-02-07 US disclosed
EP-1601365-A2 PROPHYLACTIC TREATMENT OF UV-INDUCED EPIDERMAL NEOPLASIA 3M Innovative Properties Company (US) 2005-12-07 EP disclosed
WO-2004078138-A2 PROPHYLACTIC TREATMENT OF UV-INDUCED EPIDERMAL NEOPLASIA 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-09-16 WO disclosed
US-20040175336-A1 Prophylactic treatment of UV-induced epidermal neoplasia 3M INNOVATIVE PROPERTIES COMPANY 2004-09-09 US disclosed