SCHEMBL9686973

SCHEMBL9686973

Nc1ncnc2c1ncn2[C@@H]1C[C@H](CI)[C@@H](O)C1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 5/20 0.58
AHCY P23526 6/20 0.56
ADORA3 P0DMS8 4/20 0.56
ADORA1 P30542 3/20 0.56
ADORA2B P29275 3/20 0.56
PI4KA P42356 3/20 0.56
PI4K2B Q8TCG2 3/20 0.56
PI4K2A Q9BTU6 3/20 0.56
PI4KB Q9UBF8 3/20 0.56
ADCY5 O95622 1/20 0.52

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
SCHEMBL12157236 0.89 AHCY (0.66) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL9687054 0.89 AHCY (0.66) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL12173989 0.89 AHCY (0.66) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL9308490 0.84 AHCY (0.70) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL12858753 0.81 ADORA2A (0.64) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL4894825 0.81 ADORA2A (0.64) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL9470633 0.81 ADORA2A (0.71) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL26230966 0.81 AHCY (0.64) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL9687427 0.78 ENPP1 (0.48) ADORA2AAHCYADORA3ADORA1ADORA2B
SCHEMBL12149495 0.78 AHCY (0.86) ADORA2AAHCYADORA3ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5155112-A Antiviral agents; Herpes virus GLAXO GROUP LIMITED (GB) 1992-10-13 US disclosed
EP-0430518-A2 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-06-05 EP disclosed