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SCHEMBL7103947

SCHEMBL7103947

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](O)[C@@H]2O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.57
▸ ADORA1 P30542 9/20 0.55
▸ ADORA3 P0DMS8 9/20 0.55
▸ ADORA2B P29275 9/20 0.55

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
SCHEMBL7151757 1.00 ADORA2A (0.57) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7100463 0.92 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7151069 0.92 ADORA2A (0.56) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7102204 0.91 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7151366 0.91 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7104788 0.91 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7148069 0.90 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7103826 0.90 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7118430 0.88 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7160130 0.88 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2B

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-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 — — EP claimed
WO-2002067909-A1 NEW METHOD OF BRONCHODILATORY THERAPY GLAXO GROUP LIMITED (GB) 2002-09-06 — — WO disclosed