SCHEMBL3924482

SCHEMBL3924482

CCNC(=S)NCCn1c(COCC)nc2c(N)nc3ccccc3c21

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR8 Q9NR97 10/20 0.64
TLR7 Q9NYK1 19/20 0.62
NUDT1 P36639 1/20 0.62

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
SCHEMBL21632208 0.87 TLR8 (0.67) TLR8TLR7NUDT1
SCHEMBL14592801 0.87 TLR7 (0.56) TLR8TLR7NUDT1
SCHEMBL18588112 0.87 TLR8 (0.66) TLR8TLR7NUDT1
SCHEMBL5807939 0.86 TLR8 (0.56) TLR8TLR7NUDT1
SCHEMBL7253813 0.86 TLR8 (0.65) TLR8TLR7NUDT1
Hydrochloric Acid SCHEMBL18588055 0.86 TLR8 (0.65) TLR8TLR7NUDT1
SCHEMBL21632302 0.85 TLR7 (0.67) TLR8TLR7NUDT1
SCHEMBL5747357 0.85 TLR8 (0.64) TLR8TLR7NUDT1
SCHEMBL23638058 0.84 TLR8 (0.63) TLR8TLR7NUDT1
SCHEMBL5750404 0.83 TLR8 (0.62) TLR8TLR7NUDT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1450804-B9 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2009-04-01 EP disclosed
EP-1450804-B1 PHARMACEUTICAL FORMULATIONS COMPRISING AN IMMUNE RESPONSE MODIFIER 3M INNOVATIVE PROPERTIES CO (US) 2008-08-27 EP disclosed