SCHEMBL29697240

SCHEMBL29697240

CCC[C@H](C)Oc1nc(N)c2nc(Br)n(C3CCCCO3)c2n1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 13/20 0.44
TLR8 Q9NR97 7/20 0.44
ADORA2A P29274 3/20 0.35
ADORA2B P29275 2/20 0.35
PDE8B O95263 4/20 0.34
ADORA3 P0DMS8 2/20 0.33
ADORA1 P30542 2/20 0.33

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
SCHEMBL2195829 1.00 TLR7 (0.44) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL565796 1.00 TLR7 (0.44) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL2197707 1.00 TLR7 (0.44) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL567026 0.94 TLR7 (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL3265229 0.94 TLR7 (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL566039 0.92 ADORA2A (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL20701858 0.92 ADORA2A (0.41) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL2199097 0.88 TLR7 (0.37) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL13008597 0.88 TLR7 (0.44) TLR7TLR8ADORA2AADORA2BPDE8B
SCHEMBL566720 0.88 ADORA2A (0.37) TLR7ADORA2AADORA2BPDE8BADORA3

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
EP-3218377-B1 ADENINE DERIVATIVES WHICH ARE USEFUL IN THE TREATMENT OF ALLERGIC DISEASES OR OTHER INFLAMMATORY CONDITIONS GLAXOSMITHKLINE BIOLOGICALS SA (BE) 2022-04-13 EP disclosed