SCHEMBL30480263

SCHEMBL30480263

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(N)nc(I)nc43)[C@@H]2O1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 11/20 0.48
▸ ADORA1 P30542 4/20 0.48
▸ ADORA2A P29274 4/20 0.46
▸ PI4KA P42356 1/20 0.40
▸ PI4K2B Q8TCG2 1/20 0.40
▸ PI4K2A Q9BTU6 1/20 0.40
▸ PI4KB Q9UBF8 1/20 0.40
▸ P2RY1 P47900 1/20 0.39
▸ AHCY P23526 1/20 0.37
▸ NT5E P21589 1/20 0.37
▸ DNMT1 P26358 1/20 0.36
▸ AMD1 P17707 2/20 0.35
▸ HSP90AA1 P07900 1/20 0.35
▸ HSP90B1 P14625 1/20 0.35

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
SCHEMBL12509206 0.87 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL26969051 0.87 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL15935848 0.87 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL30480242 0.83 PI4KA (0.56) ADORA3ADORA1ADORA2API4KAPI4K2B
SCHEMBL29574430 0.83 ADORA3 (0.54) ADORA3ADORA1ADORA2A
SCHEMBL29575031 0.80 ADORA3 (0.46) ADORA3ADORA1ADORA2A
SCHEMBL23201580 0.78 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL12509356 0.78 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL15935852 0.78 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL29573444 0.78 ADORA3 (0.47) ADORA3ADORA1ADORA2A

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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