SCHEMBL8911175

SCHEMBL8911175

Nc1ncnc2nnn(CC(CO)OCP)c12

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 4/20 0.31
▸ ADORA1 P30542 1/20 0.31
▸ AHCY P23526 1/20 0.30

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
SCHEMBL8911164 0.83 FGFR1 (0.45) —
SCHEMBL8910624 0.80 AHCY (0.40) ADORA2AADORA1AHCY
SCHEMBL21316678 0.69 ADORA2A (0.53) ADORA2AADORA1
SCHEMBL6363452 0.68 AHCY (0.64) ADORA2AADORA1AHCY
SCHEMBL99603 0.68 AHCY (0.64) ADORA2AADORA1AHCY
SCHEMBL8418894 0.66 ADORA2A (0.66) ADORA2AADORA1AHCY
SCHEMBL8910616 0.64 CYP3A4 (0.51) ADORA2AAHCY
SCHEMBL9604644 0.60 ADORA2A (0.46) ADORA2AADORA1
SCHEMBL3349439 0.60 ADORA2A (0.41) ADORA2AADORA1
SCHEMBL756293 0.60 ADORA2A (0.53) ADORA2AADORA1

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
US-RE35558-E (2R)-2-[di(2-propyl)phosphonyylmethoxy]-3-P-toluenesulfonyloxy-1-trimethylacetoxypropane, its preparation and use INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CS) 1997-07-08 — — US disclosed
US-5130427-A Viricides formed by etherification, esterification and reaction with a phosphonate containing compound CESKOSLOVENSKA AKADEMIE VED (CS) 1992-07-14 — — US disclosed
EP-0470809-A1 Antiviral nucleosides, compounds useful in their preparation and processes of making them Ceskoslovenska akademie ved (CS) 1992-02-12 — — EP disclosed
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