SCHEMBL5199367

SCHEMBL5199367

CC(C)[C@@]1(O)[C@H](O)[C@@H](C)O[C@H]1n1cnc2c(N)nc(OC3CCCC3)nc21

nearest known ligand 0.55

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 12/20 0.55
ADORA2B P29275 11/20 0.55
ADORA3 P0DMS8 1/20 0.40

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
SCHEMBL4231328 0.86 ADORA2A (0.64) ADORA2AADORA2BADORA3
SCHEMBL5197885 0.85 ADORA2A (0.60) ADORA2AADORA2BADORA3
SCHEMBL3882647 0.84 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL5198406 0.81 ADORA2A (0.54) ADORA2AADORA2BADORA3
SCHEMBL3878110 0.79 ADORA2A (0.47) ADORA2AADORA2BADORA3
SCHEMBL3879857 0.79 ADORA2A (0.75) ADORA2AADORA2BADORA3
SCHEMBL14396879 0.78 ADORA2A (0.63) ADORA2AADORA2BADORA3
SCHEMBL4152279 0.78 ADORA2A (0.71) ADORA2AADORA2BADORA3
SCHEMBL13855940 0.77 ADORA2A (0.62) ADORA2AADORA2BADORA3
SCHEMBL4147086 0.77 ADORA2A (0.61) ADORA2AADORA2BADORA3

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