SCHEMBL30480247

SCHEMBL30480247

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(N)ccnc43)[C@@H]2O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 2/20 0.44
▸ ADORA2A P29274 3/20 0.39
▸ ADORA2B P29275 1/20 0.39
▸ PI4KA P42356 1/20 0.38
▸ PI4K2B Q8TCG2 1/20 0.38
▸ PI4K2A Q9BTU6 1/20 0.38
▸ PI4KB Q9UBF8 1/20 0.38
▸ ADORA3 P0DMS8 4/20 0.35
▸ ADORA1 P30542 3/20 0.35
▸ AMD1 P17707 2/20 0.34
▸ RXFP1 Q9HBX9 1/20 0.34
▸ DNMT1 P26358 1/20 0.33
▸ DNMT3B Q9UBC3 1/20 0.33
▸ ADA P00813 1/20 0.31
▸ PRMT5 O14744 1/20 0.31
▸ WDR77 Q9BQA1 1/20 0.31
▸ P2RX1 P51575 1/20 0.31
▸ P2RX3 P56373 1/20 0.31
▸ P2RX4 Q99571 1/20 0.31

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
SCHEMBL29574445 0.86 ADORA3 (0.36) ADORA2API4KAPI4K2BPI4K2API4KB
SCHEMBL30480242 0.82 PI4KA (0.56) AHCYADORA2AADORA2BPI4KAPI4K2B
SCHEMBL30480248 0.81 ADORA3 (0.41) ADORA2AADORA3ADORA1
SCHEMBL30480251 0.79 AHCY (0.42) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL30480263 0.78 ADORA3 (0.48) AHCYADORA2API4KAPI4K2BPI4K2A
SCHEMBL23201580 0.74 ADORA3 (0.47) ADORA2AADORA3ADORA1
SCHEMBL12509356 0.74 ADORA3 (0.47) ADORA2AADORA3ADORA1
SCHEMBL29573444 0.74 ADORA3 (0.47) ADORA2AADORA3ADORA1
SCHEMBL29574515 0.73 ADORA3 (0.40) ADORA2AADORA3ADORA1
SCHEMBL12509206 0.72 ADORA3 (0.40) ADORA2AADORA3ADORA1

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-116457356-A A3 adenosine receptor agonists for use in medicine 生物干预公司 2023-07-18 — — CN disclosed
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