SCHEMBL7102237

SCHEMBL7102237

CCC(CC)Nc1nc(N[C@H](CO)C(C)C)nc2c1ncn2[C@@H]1O[C@H](c2nnc(C3CC3)o2)[C@@H](O)[C@H]1OC=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 8/20 0.38
CDK2 P24941 8/20 0.38
CCNA1 P78396 8/20 0.38
CDK5 Q00535 8/20 0.38
DYRK1A Q13627 8/20 0.38
CDK5R1 Q15078 8/20 0.38
ADORA2A P29274 4/20 0.38
ADORA2B P29275 1/20 0.38
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 2/20 0.36

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
SCHEMBL7104801 0.89 ADORA2A (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL7151509 0.89 ADORA2A (0.43) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL7208763 0.86 CCNA2 (0.39) CCNA2CDK2CCNA1CDK5DYRK1A
SCHEMBL7102240 0.81 ADORA2A (0.39) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7103750 0.77 ADORA2A (0.51) ADORA2AADORA2BADORA3ADORA1
SCHEMBL6574865 0.76 ADORA1 (0.47) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7574648 0.76 ADORA2A (0.44) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7211360 0.76 ADORA2A (0.43) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7099680 0.76 ADORA1 (0.57) ADORA2AADORA2BADORA3ADORA1
SCHEMBL7566398 0.76 ADORA1 (0.47) CDK5ADORA2AADORA2BADORA3ADORA1

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