SCHEMBL8092955

SCHEMBL8092955

CCC(CC)Nc1nc(N[C@H](CO)Cc2ccccc2)nc2c1ncn2[C@@H]1OC(c2nc(C)no2)[C@@H](O)[C@H]1OC=O

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 6/20 0.47
ADORA2A P29274 10/20 0.47
ADORA2B P29275 8/20 0.47
ADORA3 P0DMS8 5/20 0.47
CDK1 P06493 2/20 0.41
CDK5 Q00535 2/20 0.41

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
SCHEMBL7566398 1.00 ADORA1 (0.47) ADORA1ADORA2AADORA2BADORA3CDK1
SCHEMBL7202952 0.90 ADORA2A (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7207964 0.90 ADORA2A (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7587828 0.90 ADORA2A (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7208763 0.89 CCNA2 (0.39) ADORA2AADORA2BCDK5
SCHEMBL7574648 0.84 ADORA2A (0.44) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7595823 0.84 ADORA1 (0.48) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7567108 0.84 ADORA2A (0.57) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7208885 0.83 ADORA2A (0.38) ADORA1ADORA2AADORA2BADORA3
SCHEMBL7202130 0.82 ADORA2A (0.46) ADORA2ACDK1

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-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed