SCHEMBL30503516

SCHEMBL30503516

CCCCOc1nc(N)c2nc(Br)n(CCCCNC(=O)OC(C)(C)C)c2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 15/20 0.49
IL6 P05231 2/20 0.47
ADORA2A P29274 1/20 0.43
ADORA2B P29275 1/20 0.43
ADORA1 P30542 1/20 0.43
CA12 O43570 3/20 0.40
CA1 P00915 3/20 0.40
CA2 P00918 3/20 0.40
CA9 Q16790 3/20 0.40
KDM4E B2RXH2 1/20 0.39
APAF1 O14727 1/20 0.39
NSD2 O96028 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
CASP1 P29466 1/20 0.39
RECQL P46063 1/20 0.39
BLM P54132 1/20 0.39

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
SCHEMBL22347078 1.00 TLR7 (0.49) TLR7IL6ADORA2AADORA2BADORA1
SCHEMBL26348185 0.90 TLR7 (0.49) TLR7IL6CA12CA1CA2
SCHEMBL22347110 0.83 TLR7 (0.48) TLR7IL6ADORA2AADORA2BCA12
SCHEMBL30503456 0.83 TLR7 (0.48) TLR7IL6ADORA2AADORA2BCA12
SCHEMBL29034570 0.83 TLR7 (0.50) TLR7IL6
SCHEMBL26348207 0.81 ADORA2A (0.41) TLR7ADORA2AADORA2BADORA1KDM4E
SCHEMBL31124769 0.79 TLR7 (0.47) TLR7IL6
SCHEMBL26348191 0.79 ADORA2A (0.55) TLR7ADORA2AADORA2BADORA1
SCHEMBL22359663 0.79 ADORA2A (0.39) TLR7ADORA2AADORA2BADORA1
SCHEMBL31398561 0.78 TLR7 (0.50) TLR7IL6

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
CN-116457023-A antibody-TLR agonist conjugates, methods and uses thereof AMBRX公司 2023-07-18 CN disclosed