SCHEMBL5197949

SCHEMBL5197949

CC(=O)C(S)[C@H]1O[C@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 10/20 0.51
▸ ADORA2B P29275 9/20 0.51
▸ PI4KA P42356 1/20 0.41
▸ PI4K2B Q8TCG2 1/20 0.41
▸ PI4K2A Q9BTU6 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41
▸ RXFP1 Q9HBX9 1/20 0.39
▸ ADORA3 P0DMS8 1/20 0.38
▸ P2RX1 P51575 1/20 0.38
▸ P2RX3 P56373 1/20 0.38
▸ P2RX4 Q99571 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
SCHEMBL4231078 0.88 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4231106 0.88 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4147066 0.88 ADORA2A (0.51) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4159761 0.88 ADORA2A (0.52) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
Water SCHEMBL4239095 0.88 ADORA2A (0.55) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
Water SCHEMBL4239105 0.88 ADORA2A (0.55) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4164803 0.85 ADORA2A (0.54) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4152301 0.84 ADORA2A (0.55) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4148702 0.83 ADORA2A (0.57) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4149730 0.82 ADORA2A (0.57) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1805196-A1 SUBSTITUTED ADENINES AND THE USE THEREOF AstraZeneca AB (SE) 2007-07-11 — — EP disclosed
WO-2006040558-A1 SUBSTITUTED ADENINES AND THE USE THEREOF ASTRAZENECA AB (SE) 2006-04-20 — — WO disclosed
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