SCHEMBL22757388

SCHEMBL22757388

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NCC(F)F)nc(I)nc21

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PI4KA P42356 1/20 0.53
▸ PI4K2B Q8TCG2 1/20 0.53
▸ PI4K2A Q9BTU6 1/20 0.53
▸ PI4KB Q9UBF8 1/20 0.53
▸ ADORA3 P0DMS8 6/20 0.53
▸ ADORA1 P30542 5/20 0.53
▸ ADORA2A P29274 4/20 0.53
▸ ALDH1A1 P00352 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ ADORA2B P29275 1/20 0.42

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
SCHEMBL22757421 0.87 ADORA3 (0.55) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22757505 0.85 ADORA3 (0.56) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL22750569 0.84 ADORA3 (0.54) ADORA3ADORA1ADORA2AALDH1A1LMNA
SCHEMBL22757415 0.83 PI4KA (0.47) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL24146587 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13461112 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13296260 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL25242659 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL2111246 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL13314808 0.82 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBADORA3

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-2020247546-A1 ADENOSINE ANALOGS FOR THE TREATMENT OF DISEASE BIOINTERVENE, INC. (US) 2020-12-10 — — WO disclosed
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