SCHEMBL30480242

SCHEMBL30480242

CC1(C)O[C@@H]2[C@@H]3C[C@@H]3[C@@H](n3cnc4c(N)ncnc43)[C@@H]2O1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 4/20 0.56
▸ PI4K2B Q8TCG2 4/20 0.56
▸ PI4K2A Q9BTU6 4/20 0.56
▸ PI4KB Q9UBF8 4/20 0.56
▸ ADORA2A P29274 4/20 0.50
▸ RXFP1 Q9HBX9 1/20 0.49
▸ AMD1 P17707 2/20 0.48
▸ PRMT5 O14744 1/20 0.48
▸ WDR77 Q9BQA1 1/20 0.48
▸ AHCY P23526 3/20 0.48
▸ ADORA3 P0DMS8 2/20 0.48
▸ ADORA1 P30542 2/20 0.48
▸ ADORA2B P29275 1/20 0.48
▸ TP53 P04637 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ NFKB1 P19838 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ HSD17B10 Q99714 1/20 0.46

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
SCHEMBL30480263 0.83 ADORA3 (0.48) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30480247 0.82 AHCY (0.44) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL30480251 0.80 AHCY (0.42) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL8885395 0.79 AHCY (0.62) PI4KAPI4K2BPI4K2API4KBAHCY
SCHEMBL30076900 0.78 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL19952762 0.78 PI4KA (0.62) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10747560 0.78 AHCY (0.66) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL10750271 0.78 AHCY (0.64) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL2415733 0.77 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A
SCHEMBL1934746 0.77 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBADORA2A

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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