SCHEMBL7100287

SCHEMBL7100287

CC(C)c1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N[C@H](CO)Cc5ccccc5)nc43)[C@H](OC=O)[C@@H]2O)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 7/20 0.46
ADORA1 P30542 5/20 0.44
ADORA3 P0DMS8 4/20 0.44
ADORA2B P29275 4/20 0.44
CDK1 P06493 2/20 0.43
CDK5 Q00535 2/20 0.43
CCNE2 O96020 1/20 0.42
CCNE1 P24864 1/20 0.42
CDK2 P24941 1/20 0.42

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
SCHEMBL7099576 0.93 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7104788 0.92 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7151366 0.91 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7102204 0.91 ADORA2A (0.55) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7119044 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7762317 0.88 ADORA2A (0.46) ADORA2AADORA1ADORA3ADORA2BCDK1
SCHEMBL7102136 0.85 ADORA2A (0.48) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7231164 0.85 ADORA2A (0.54) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7103626 0.85 ADORA2A (0.47) ADORA2AADORA1ADORA3ADORA2B
SCHEMBL7099694 0.84 ADORA2A (0.59) ADORA2AADORA1ADORA3ADORA2BCDK1

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