SCHEMBL24601301

SCHEMBL24601301

CC1(C)O[C@@H]2[C@@H](CO)OC(n3cnc4c(O)nc(-c5ccccn5)nc43)[C@@H]2O1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
ALDH1A1 P00352 1/20 0.48
LMNA P02545 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
ADORA1 P30542 7/20 0.43
ADORA3 P0DMS8 6/20 0.43
ADORA2A P29274 4/20 0.42
SLC29A1 Q99808 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RX4 Q99571 1/20 0.40
ADORA2B P29275 1/20 0.39
CD99 P14209 1/20 0.38

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
SCHEMBL24601294 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24601293 1.00 PI4KA (0.55) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL24601056 0.84 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL24601058 0.84 ADORA2A (0.37) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL24601057 0.82 ADORA3 (0.46) ADORA1ADORA3ADORA2AADORA2B
SCHEMBL307825 0.82 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL260752 0.80 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL2294904 0.79 PI4KA (0.66) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL260760 0.78 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBALDH1A1
SCHEMBL2291671 0.77 PI4KA (0.80) PI4KAPI4K2BPI4K2API4KBALDH1A1

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
WO-2022143740-A1 ADENOSINE A3 RECEPTOR AGONIST, PREPARATION METHOD THEREFOR, AND USE THEREOF 浙江春禾医药科技有限公司 2022-07-07 WO disclosed