SCHEMBL5576830

SCHEMBL5576830

Nc1ncnc2c1ncn2P=O

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 12/20 0.56
▸ ADORA1 P30542 8/20 0.56
▸ PI4KA P42356 10/20 0.51
▸ PI4K2B Q8TCG2 10/20 0.51
▸ PI4K2A Q9BTU6 10/20 0.51
▸ PI4KB Q9UBF8 10/20 0.51
▸ ADORA2B P29275 4/20 0.51
▸ GSK3B P49841 1/20 0.49
▸ EGFR P00533 2/20 0.49
▸ ADORA3 P0DMS8 2/20 0.47

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
SCHEMBL580610 0.75 ADORA2A (0.64) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL667204 0.74 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL28413958 0.74 ADORA2A (0.62) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL2342091 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL106573 0.72 ADORA2A (1.00) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8284838 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1357265 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL13007709 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1370892 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8069211 0.72 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117568042-A Soil restoration agent for symbiotic bacteria and algae, and preparation and application methods thereof 安徽建筑大学 2024-02-20 — — CN disclosed
US-20070038380-A1 Crystal structure of E.coli GDP-fucose synthetase (and complexes thereof) and methods of identifying agonists and antagonists using same SOMERS WILLIAM S 2007-02-15 — — US disclosed
US-6459996-B1 IDENTIFYING A SPECIES WHICH IS AN AGONIST OR ANTAGONIST OF GDP-FUCOSE SYNTHETASE ACTIVITY OR BINDING AMERICAN HOME PRODUCTS CORPORATION 2002-10-01 — — US disclosed
EP-1105523-A4 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GDP-FUCOSE SYNTHETASE AND METHODS OF ITS USE WYETH CORP (US) 2002-09-25 — — EP disclosed
EP-1105523-A1 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GDP-FUCOSE SYNTHETASE AND METHODS OF ITS USE American Home Products Corporation (US) 2001-06-13 — — EP disclosed
WO-2000009744-A9 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GDP-FUCOSE SYNTHETASE AND METHODS OF ITS USE AMERICAN HOME PROD (US) 2000-05-25 — — WO disclosed
WO-2000009744-A1 CRYSTAL STRUCTURE OF ESCHERICHIA COLI GDP-FUCOSE SYNTHETASE AND METHODS OF ITS USE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-02-24 — — WO disclosed
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