SCHEMBL9679135

SCHEMBL9679135

Nc1ncnc2c1nnn2[C@@H]1C[C@H](CO)[C@@H](O)[C@@H]1F

nearest known ligand 0.80

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 14/20 0.80
▸ ADORA2B P29275 1/20 0.55
▸ ADORA3 P0DMS8 1/20 0.39
▸ ADORA2A P29274 1/20 0.39
▸ DNMT1 P26358 1/20 0.39
▸ DNMT3B Q9UBC3 1/20 0.39

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
SCHEMBL20191359 0.89 AHCY (1.00) AHCYADORA2BADORA3ADORA2A
SCHEMBL21057423 0.80 AHCY (0.71) AHCYADORA2BADORA3ADORA2ADNMT1
SCHEMBL9851039 0.80 AHCY (0.52) AHCYADORA2BADORA3
SCHEMBL13524256 0.78 AHCY (0.67) AHCYADORA2BDNMT1DNMT3B
SCHEMBL12149497 0.78 AHCY (0.68) AHCYADORA2BADORA3ADORA2ADNMT1
SCHEMBL9679650 0.76 AHCY (0.47) AHCYADORA2B
SCHEMBL14635720 0.75 AHCY (0.71) AHCYADORA2BDNMT1DNMT3B
SCHEMBL18490562 0.74 ADORA3 (0.55) AHCYADORA2BADORA3ADORA2ADNMT1
SCHEMBL9679570 0.74 AHCY (0.46) AHCYADORA3
SCHEMBL9679562 0.74 AHCY (0.46) AHCYADORA3

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-5100896-A Treatment of herpes virus GLAXO GROUP LIMITED (GB) 1992-03-31 — — US disclosed
EP-0410660-A1 Cyclopentane derivatives GLAXO GROUP LIMITED (GB) 1991-01-30 — — EP disclosed
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