SCHEMBL30013346

SCHEMBL30013346

C[S+]([O-])CCn1c(=O)[nH]c2nc[nH]c(=O)c21

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.44
▸ ADORA2B P29275 8/20 0.44
▸ PDE4A P27815 7/20 0.44
▸ PDE4B Q07343 7/20 0.44
▸ PDE4C Q08493 7/20 0.44
▸ PDE4D Q08499 7/20 0.44
▸ ADORA3 P0DMS8 7/20 0.44
▸ BLM P54132 2/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ADORA1 P30542 1/20 0.38
▸ PDE3A Q14432 1/20 0.38
▸ HSD17B10 Q99714 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PMP22 Q01453 1/20 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
SCHEMBL30013176 0.81 ADORA2A (0.64) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL30012879 0.79 ADORA2A (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL30012788 0.75 ADORA2B (0.43) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31142181 0.75 ADORA2B (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31142206 0.74 ADORA2A (0.47) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31142176 0.73 ADORA2B (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31142182 0.73 ADORA2B (0.45) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL30012368 0.71 ADORA2A (0.43) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL30012331 0.71 ADORA2B (0.65) ADORA2AADORA2BPDE4APDE4BPDE4C
SCHEMBL31142180 0.69 ADORA2A (0.41) ADORA2AADORA2BPDE4APDE4BPDE4C

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-4065155-A1 TLR7 AGONISTS Primmune Therapeutics, Inc. (US) 2022-10-05 — — EP disclosed
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