SCHEMBL7098429

SCHEMBL7098429

CCC(CC)Nc1nc(NCCC2CCCCC2)nc2c1ncn2[C@@H]1O[C@H](c2nnc(C3CC3)o2)[C@@H](O)[C@H]1O

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.55
ADORA2B P29275 3/20 0.51
ADORA3 P0DMS8 4/20 0.44
ADORA1 P30542 4/20 0.44
PGK1 P00558 1/20 0.40
PGK2 P07205 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
SCHEMBL7099042 0.89 ADORA2A (0.54) ADORA2AADORA3ADORA1
SCHEMBL7103750 0.87 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7100458 0.85 ADORA2A (0.48) ADORA2AADORA2BADORA3ADORA1PGK1
SCHEMBL7104801 0.84 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7151509 0.84 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7099680 0.83 ADORA1 (0.57) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7100323 0.82 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7100326 0.82 ADORA2A (0.52) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7099674 0.81 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7099675 0.81 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1

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
EP-1090023-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-09-10 EP disclosed