SCHEMBL12640962

SCHEMBL12640962

CCOCc1nc2c(N)nc3ccccc3c2n1CCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.53
TLR8 Q9NR97 6/20 0.53
TDP1 Q9NUW8 1/20 0.47
GBA1 P04062 1/20 0.47
NUDT1 P36639 1/20 0.45
LY6K Q17RY6 1/20 0.45
PDE6D O43924 1/20 0.45
SLC6A4 P31645 1/20 0.45
ADORA2A P29274 1/20 0.45
ADORA2B P29275 1/20 0.45
RNF168 Q8IYW5 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
TPSAB1 Q15661 1/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44

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
SCHEMBL3863076 0.97 TLR7 (0.53) TLR7TLR8TDP1GBA1NUDT1
Trifluoroacetic Acid SCHEMBL4864753 0.94 TLR7 (0.51) TLR7TLR8TDP1GBA1NUDT1
SCHEMBL4871874 0.89 TLR7 (0.55) TLR7TLR8TDP1
SCHEMBL3863594 0.88 TLR7 (0.55) TLR7TLR8
SCHEMBL4872671 0.85 TLR7 (0.48) TLR7TLR8NUDT1
SCHEMBL3867295 0.82 SLC6A4 (0.51) TDP1GBA1PDE6DSLC6A4ADORA2A
SCHEMBL13837300 0.81 TLR7 (0.71) TLR7TLR8
SCHEMBL3864917 0.81 TDP1 (0.53) TDP1GBA1PDE6DSLC6A4RNF168
SCHEMBL3864057 0.81 TLR7 (0.55) TLR7TLR8
SCHEMBL5617098 0.80 TLR7 (0.67) 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-20110142874-A1 Compositions, Methods, and Kits for Eliciting an Immune Response ARIZONA BOARD OF REGENTS (US) 2011-06-16 US disclosed