SCHEMBL7099633

SCHEMBL7099633

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCc5ccccn5)nc43)[C@H](OC=O)[C@@H]2O)o1

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 17/20 0.51
ADORA3 P0DMS8 6/20 0.51
ADORA2B P29275 3/20 0.51
ADORA1 P30542 3/20 0.51

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
SCHEMBL7099635 0.96 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7099631 0.91 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100359 0.91 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103810 0.88 ADORA2A (0.51) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099649 0.87 ADORA2A (0.63) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7099655 0.87 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7120924 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103812 0.84 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7100932 0.84 ADORA2A (0.61) ADORA2AADORA3ADORA2BADORA1
SCHEMBL7103626 0.84 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1

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