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SCHEMBL7119047

SCHEMBL7119047

O=CO[C@H]1[C@@H](O)[C@H](n2cnc3c(NCC(c4ccccc4)c4ccccc4)nc(N(CO)CCc4ccccc4)nc32)O[C@@H]1c1nnc[nH]1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 15/20 0.44
▸ ADORA3 P0DMS8 8/20 0.44
▸ ADORA1 P30542 8/20 0.44
▸ ADORA2B P29275 7/20 0.44
▸ PGK1 P00558 1/20 0.40
▸ PGK2 P07205 1/20 0.40

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 SCHEMBL7119041 0.91 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7117083 0.91 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7118427 0.90 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2BPGK1
SCHEMBL7099579 0.90 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7104792 0.89 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7100291 0.89 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7102138 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7231166 0.86 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103630 0.85 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7105004 0.84 ADORA2A (0.46) 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-1090020-B1 2-(PURIN-9-YL)-TETRAHYDROFURAN-3,4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2003-11-05 — — EP disclosed