SCHEMBL30480251

SCHEMBL30480251

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(N)c(F)cnc43)[C@@H]2O1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 7/20 0.42
▸ PI4KA P42356 1/20 0.37
▸ PI4K2B Q8TCG2 1/20 0.37
▸ PI4K2A Q9BTU6 1/20 0.37
▸ PI4KB Q9UBF8 1/20 0.37
▸ ADORA3 P0DMS8 8/20 0.36
▸ ADORA1 P30542 7/20 0.36
▸ ADORA2A P29274 4/20 0.36
▸ RXFP1 Q9HBX9 1/20 0.35
▸ AMD1 P17707 2/20 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
SCHEMBL15935852 0.72 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL12509356 0.72 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL23201580 0.72 ADORA3 (0.47) ADORA3ADORA1ADORA2A
SCHEMBL26969051 0.70 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL15935848 0.70 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL12509206 0.70 ADORA3 (0.40) ADORA3ADORA1ADORA2A
SCHEMBL2017929 0.67 AHCY (0.57) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL2019724 0.66 AHCY (0.51) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL2020689 0.66 AHCY (0.63) AHCYPI4KAPI4K2BPI4K2API4KB
SCHEMBL2018519 0.66 AHCY (0.63) AHCYPI4KAPI4K2BPI4K2API4KB

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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