SCHEMBL9056149

SCHEMBL9056149

CC1(C)O[C@@H]2[C@H](O1)[C@@H](CO)O[C@H]2n1cnc2c(NCC(c3ccccc3)c3ccccc3)nc(N)nc21

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.59
ADORA3 P0DMS8 3/20 0.59
ADORA1 P30542 3/20 0.59
ADORA2B P29275 2/20 0.59
PI4KA P42356 1/20 0.55
PI4K2B Q8TCG2 1/20 0.55
PI4K2A Q9BTU6 1/20 0.55
PI4KB Q9UBF8 1/20 0.55
PGK1 P00558 1/20 0.51
PGK2 P07205 1/20 0.51

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
SCHEMBL4376279 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL4376288 0.88 ADORA2A (0.55) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL10688350 0.88 ADORA2A (0.72) ADORA2AADORA3ADORA1ADORA2BPI4KA
SCHEMBL4375251 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL4375246 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL10684165 0.84 ADORA2A (0.75) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL10684171 0.84 ADORA2A (0.75) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL10680285 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL10680281 0.83 ADORA2A (0.68) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL6322416 0.82 ADORA2A (0.62) ADORA2AADORA3ADORA1ADORA2BPGK1

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-1996002553-A2 AMINO PURINE-β-D-RIBOFURANURONAMIDE DERIVATIVES GLAXO GROUP LIMITED (GB) 1996-02-01 WO disclosed