SCHEMBL7597307

SCHEMBL7597307

CCc1cc([C@H]2O[C@@H](n3cnc4c(NC(CO)C(C)C)nc(NCCNc5ccccn5)nc43)[C@H](O)[C@@H]2O)on1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 4/20 0.45
CDK2 P24941 4/20 0.45
CCNA1 P78396 4/20 0.45
CDK5 Q00535 4/20 0.45
DYRK1A Q13627 4/20 0.45
CDK5R1 Q15078 4/20 0.45
PGK1 P00558 3/20 0.43
PGK2 P07205 3/20 0.43
ADORA2A P29274 7/20 0.40
ADORA3 P0DMS8 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 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
SCHEMBL7597313 1.00 CCNA2 (0.45) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL6835055 1.00 CCNA2 (0.45) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL6841737 0.92 PGK1 (0.43) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839274 0.90 ADORA1 (0.51) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7597841 0.90 ADORA1 (0.51) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL7597844 0.90 ADORA1 (0.51) PGK1PGK2ADORA2AADORA3ADORA2B
SCHEMBL6839334 0.87 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839161 0.87 ADORA2A (0.51) PGK1PGK2ADORA2AADORA3
SCHEMBL7601673 0.87 ADORA2A (0.51) PGK1PGK2ADORA2AADORA3
SCHEMBL7596792 0.86 ADORA2A (0.52) PGK1PGK2ADORA2AADORA3ADORA1

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-1051425-B1 2-(PURIN-9-yl)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-10-30 EP claimed