SCHEMBL7104786

SCHEMBL7104786

Cc1cnc([C@H]2O[C@@H](n3cnc4c(NCCC5CCCCC5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@@H]2O)o1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.47
ADORA1 P30542 3/20 0.41
ADORA3 P0DMS8 3/20 0.41
ADORA2B P29275 2/20 0.41
CDK1 P06493 2/20 0.40
CDK5 Q00535 2/20 0.40
PGK1 P00558 1/20 0.39
PGK2 P07205 1/20 0.39
CCNE2 O96020 1/20 0.39
CCNE1 P24864 1/20 0.39
CDK2 P24941 1/20 0.39

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
SCHEMBL7148224 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7148231 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7103495 0.91 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL8092301 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL6943628 0.87 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7104790 0.80 ADORA2A (0.43) ADORA2AADORA1ADORA3ADORA2BPGK1
SCHEMBL7566398 0.77 ADORA1 (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL8092955 0.77 ADORA1 (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7223578 0.77 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL8446589 0.77 ADORA2A (0.53) ADORA2AADORA1ADORA3ADORA2B

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 3 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 disclosed
EP-1090023-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2001-04-11 EP disclosed
WO-1999067264-A1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-12-29 WO disclosed