SCHEMBL7587860

SCHEMBL7587860

CCC(CC)Nc1nc(NC(CO)C(C)C)nc2c1ncn2[C@@H]1O[C@H](c2nc(C)no2)[C@@H](O)[C@H]1O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 4/20 0.44
ADORA2B P29275 2/20 0.44
CCNA2 P20248 3/20 0.42
CDK2 P24941 3/20 0.42
CCNA1 P78396 3/20 0.42
CDK5 Q00535 3/20 0.42
DYRK1A Q13627 3/20 0.42
CDK5R1 Q15078 3/20 0.42
ADORA1 P30542 1/20 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
SCHEMBL7207670 1.00 ADORA2A (0.44) ADORA2AADORA2BCCNA2CDK2CCNA1
SCHEMBL7208763 0.89 CCNA2 (0.39) ADORA2AADORA2BCCNA2CDK2CCNA1
SCHEMBL7207964 0.87 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL7587828 0.87 ADORA2A (0.57) ADORA2AADORA2BADORA1
SCHEMBL7208637 0.85 ADORA3 (0.57) ADORA2AADORA2BADORA1
SCHEMBL7204932 0.85 ADORA2A (0.51) ADORA2AADORA2BADORA1
SCHEMBL7104801 0.84 ADORA2A (0.43) ADORA2AADORA2BCCNA2CDK2CCNA1
SCHEMBL7151509 0.84 ADORA2A (0.43) ADORA2AADORA2BCCNA2CDK2CCNA1
SCHEMBL7208424 0.83 ADORA2A (0.52) ADORA2AADORA2BCDK2ADORA1
SCHEMBL7208427 0.83 ADORA2A (0.52) ADORA2AADORA2BCDK2ADORA1

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
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP claimed