SCHEMBL7100461

SCHEMBL7100461

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)[nH]1

nearest known ligand 0.50

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 11/20 0.49
ADORA3 P0DMS8 7/20 0.49
ADORA2B P29275 7/20 0.49
ADORA1 P30542 7/20 0.49
PGK1 P00558 1/20 0.45
PGK2 P07205 1/20 0.45

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
Formic Acid SCHEMBL7099570 0.97 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7103945 0.93 ADORA2A (0.50) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7102203 0.92 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7099579 0.91 ADORA2A (0.45) ADORA2AADORA3ADORA2BADORA1
Formic Acid SCHEMBL7104785 0.90 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7100284 0.89 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7118427 0.88 ADORA2A (0.48) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL7098449 0.86 ADORA2A (0.52) ADORA2AADORA3ADORA2BADORA1PGK1
Formic Acid SCHEMBL7119041 0.85 ADORA2A (0.47) ADORA2AADORA3ADORA2BADORA1PGK1
SCHEMBL5086039 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA2BADORA1PGK1

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 claimed