SCHEMBL30503500

SCHEMBL30503500

CCCCc1nc2c(N)ncnc2n1CCCCN

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 6/20 0.59
ADORA2B P29275 5/20 0.59
ADORA1 P30542 5/20 0.59
TLR7 Q9NYK1 2/20 0.54
TLR8 Q9NR97 1/20 0.54
ERBB2 P04626 5/20 0.54
HSP90AA1 P07900 5/20 0.54
HSP90AB1 P08238 5/20 0.54
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
FBP1 P09467 1/20 0.48
HSP90B1 P14625 1/20 0.48
ADORA3 P0DMS8 3/20 0.48

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
SCHEMBL22359153 1.00 ADORA2A (0.59) ADORA2AADORA2BADORA1TLR7TLR8
SCHEMBL23421856 0.83 ADORA2A (0.52) ADORA2AADORA2BADORA1ERBB2HSP90AA1
SCHEMBL23421471 0.83 ADORA2A (0.51) ADORA2AADORA2BADORA1ERBB2HSP90AA1
SCHEMBL23421572 0.81 ADORA2A (0.49) ADORA2AADORA2BADORA1TLR7ERBB2
SCHEMBL22359199 0.80 ADORA2A (0.55) ADORA2AADORA2BADORA1PI4KAPI4K2B
SCHEMBL26348164 0.80 TLR7 (0.54) TLR7TLR8HSP90AA1HSP90AB1
SCHEMBL29475714 0.80 TLR7 (0.54) TLR7TLR8HSP90AA1HSP90AB1
SCHEMBL22359349 0.77 ERBB2 (0.43) ADORA2AADORA2BADORA1TLR7TLR8
SCHEMBL22347080 0.77 TLR7 (0.48) ADORA2AADORA2BADORA1TLR7ERBB2
SCHEMBL22359367 0.77 ADORA2A (0.74) ADORA2AADORA2BADORA1HSP90AA1HSP90AB1

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
CN-119455003-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-119455004-A Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2025-02-18 CN disclosed
CN-113660957-B Compositions, methods and uses comprising antibody-TLR agonist conjugates AMBRX公司 2024-12-13 CN disclosed
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed