SCHEMBL30012368

SCHEMBL30012368

O=c1[nH]cnc2[nH]c(=O)n(CC(F)(F)F)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 8/20 0.43
▸ PDE4A P27815 6/20 0.43
▸ PDE4B Q07343 6/20 0.43
▸ PDE4C Q08493 6/20 0.43
▸ PDE4D Q08499 6/20 0.43
▸ ADORA2B P29275 7/20 0.41
▸ ADORA3 P0DMS8 6/20 0.41
▸ BLM P54132 2/20 0.35
▸ HPGD P15428 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ PNP P00491 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ GDA Q9Y2T3 1/20 0.33
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ SLC6A4 P31645 1/20 0.33
▸ ADRA1A P35348 1/20 0.33
▸ XDH P47989 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
SCHEMBL31142180 0.88 ADORA2A (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30012788 0.85 ADORA2B (0.43) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL31142182 0.83 ADORA2B (0.45) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL31142176 0.80 ADORA2B (0.41) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30025357 0.79 ADORA2A (0.66) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30013176 0.77 ADORA2A (0.64) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL31142206 0.76 ADORA2A (0.47) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30012331 0.76 ADORA2B (0.65) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL30012879 0.75 ADORA2A (0.47) ADORA2APDE4APDE4BPDE4CPDE4D
SCHEMBL31142177 0.74 MPO (0.53) HSD17B10PNPSMN1; SMN2

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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