SCHEMBL22359367

SCHEMBL22359367

NCCCCn1c(Br)nc2c(N)ncnc21

nearest known ligand 0.74

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 18/20 0.74
ADORA1 P30542 18/20 0.74
ADORA2B P29275 14/20 0.74
ADORA3 P0DMS8 9/20 0.74
HSP90B1 P14625 1/20 0.46
HSP90AA1 P07900 1/20 0.44
HSP90AB1 P08238 1/20 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
SCHEMBL28455573 0.87 ADORA2A (0.76) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL31061536 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL1965296 0.85 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL22359199 0.82 ADORA2A (0.55) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL987368 0.82 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3HSP90AA1
SCHEMBL4742892 0.82 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL1755068 0.80 ADORA2A (1.00) ADORA2AADORA1ADORA2BADORA3
SCHEMBL22359153 0.77 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL30503500 0.77 ADORA2A (0.59) ADORA2AADORA1ADORA2BADORA3HSP90B1
SCHEMBL23885221 0.77 ADORA2A (0.69) ADORA2AADORA1ADORA2BADORA3

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
WO-2020168017-A1 COMPOSITIONS CONTAINING, METHODS AND USES OF ANTIBODY-TLR AGONIST CONJUGATES AMBRX, INC. (US) 2020-08-20 WO disclosed