SCHEMBL7600865

SCHEMBL7600865

CCc1cc(C2OC(n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(NCCO)nc43)C(O)C2O)on1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 14/20 0.57
ADORA3 P0DMS8 4/20 0.57
ADORA2B P29275 4/20 0.57
ADORA1 P30542 4/20 0.57
PGK1 P00558 1/20 0.51
PGK2 P07205 1/20 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
SCHEMBL6835039 1.00 ADORA2A (0.57) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL6839110 0.96 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839844 0.93 ADORA2A (0.56) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839334 0.92 ADORA2A (0.54) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839796 0.90 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839715 0.90 ADORA2A (0.55) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839042 0.90 ADORA2A (0.72) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839112 0.90 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6839114 0.90 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1
SCHEMBL6835058 0.90 ADORA2A (0.63) 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 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