SCHEMBL28929629

SCHEMBL28929629

CCCCNc1nc(N)c2nc(Br)n(Cc3ccc(Cl)nc3)c2n1

nearest known ligand 0.56

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TMIGD3 P0DMS9 3/20 0.56
ADORA2A P29274 3/20 0.56
ADORA2B P29275 3/20 0.56
ADORA1 P30542 3/20 0.56
TLR7 Q9NYK1 16/20 0.53

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
Bromide SCHEMBL3134008 0.99 TMIGD3 (0.55) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL4461897 0.88 TLR7 (0.53) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL18563916 0.88 ADORA2A (0.61) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL18584238 0.86 ADORA2A (0.59) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL7209091 0.86 ADORA2A (0.74) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL7209457 0.83 ADORA2A (0.72) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL3122899 0.82 TMIGD3 (0.56) TMIGD3ADORA2AADORA2BADORA1TLR7
SCHEMBL4468323 0.82 TLR7 (0.57) TLR7
SCHEMBL15726056 0.82 TMIGD3 (0.55) TMIGD3ADORA2AADORA2BADORA1TLR7
Bromide SCHEMBL31308120 0.81 TLR7 (0.56) TLR7

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 2 patents. 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
CN-113660957-A Compositions, methods, and uses comprising antibody-TLR agonist conjugates AMBRX公司 2021-11-16 CN disclosed