SCHEMBL7098449

SCHEMBL7098449

Cc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CCc5ccccc5)nc43)[C@H](O)[C@@H]2O)s1

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 13/20 0.52
ADORA3 P0DMS8 8/20 0.52
ADORA1 P30542 8/20 0.52
ADORA2B P29275 7/20 0.52
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 SCHEMBL7102132 0.97 ADORA2A (0.51) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7102138 0.91 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7100461 0.86 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL5086039 0.85 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7103945 0.84 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7102323 0.84 ADORA2A (0.50) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7118427 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7102203 0.84 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BPGK1
Formic Acid SCHEMBL7099570 0.83 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7098846 0.83 ADORA3 (0.58) ADORA2AADORA3ADORA1ADORA2B

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