SCHEMBL7103259

SCHEMBL7103259

CCc1nnc([C@H]2O[C@@H](n3cnc4c(NCC(c5ccccc5)c5ccccc5)nc(N(CO)CC(C)C)nc43)[C@H](O)[C@@H]2OC=O)[nH]1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.45
ADORA3 P0DMS8 6/20 0.45
ADORA1 P30542 6/20 0.45
ADORA2B P29275 5/20 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
SCHEMBL7104792 0.92 ADORA2A (0.46) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7103257 0.91 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103824 0.90 ADORA2A (0.48) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7117083 0.89 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7203442 0.86 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7231858 0.86 ADORA2A (0.47) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7100291 0.85 ADORA2A (0.44) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7099579 0.85 ADORA2A (0.45) ADORA2AADORA3ADORA1ADORA2B
Formic Acid SCHEMBL7104785 0.82 ADORA2A (0.49) ADORA2AADORA3ADORA1ADORA2B
SCHEMBL7103945 0.81 ADORA2A (0.50) 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 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