SCHEMBL6024967

SCHEMBL6024967

CC(=O)OCc1nc2c(N)nc3ccccc3c2n1CC(C)C

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 19/20 0.63
TLR8 Q9NR97 6/20 0.63
NUDT1 P36639 2/20 0.53
LMNA P02545 1/20 0.51
POLB P06746 1/20 0.51
HRH2 P25021 1/20 0.51
ADRA1D P25100 1/20 0.51
HTR2A P28223 1/20 0.51
ADORA2A P29274 1/20 0.51
ADRA1A P35348 1/20 0.51
HTR2B P41595 1/20 0.51
PDE4D Q08499 1/20 0.51
KCNH2 Q12809 1/20 0.51

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
SCHEMBL4312515 0.91 TLR7 (0.60) TLR7TLR8
SCHEMBL1614839 0.87 TLR7 (0.61) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490402 0.86 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL6723566 0.86 TLR7 (0.65) TLR7TLR8NUDT1LMNAPOLB
Hydrochloric Acid SCHEMBL4519914 0.85 TLR7 (0.64) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490683 0.85 TLR7 (0.61) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL1490534 0.85 TLR7 (0.63) TLR7TLR8
SCHEMBL6723972 0.85 TLR7 (0.63) TLR7TLR8
SCHEMBL893024 0.84 TLR7 (0.74) TLR7TLR8NUDT1LMNAPOLB
SCHEMBL5453031 0.84 TLR7 (0.62) TLR7TLR8NUDT1LMNAPOLB

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
EP-1617871-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS USING METAL-CONTAINING PARTICULATE SUPPORT MATERIALS 3M Innovative Properties Company (US) 2006-01-25 EP disclosed
EP-1615665-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M Innovative Properties Company (US) 2006-01-18 EP disclosed
WO-2004108072-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS USING METAL-CONTAINING PARTICULATE SUPPORT MATERIALS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-12-16 WO disclosed
WO-2004091500-A2 DELIVERY OF IMMUNE RESPONSE MODIFIER COMPOUNDS 3M INNOVATIVE PROPERTIES COMPANY (US) 2004-10-28 WO disclosed