SCHEMBL9494187

SCHEMBL9494187

Nc1ncnc2c1ncn2[C@@H]1O[C@H](C(O)C(=O)NC2CC2)[C@@H](O)[C@H]1O

nearest known ligand 0.69

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADORA2B P29275 5/20 0.69
▸ ADORA3 P0DMS8 4/20 0.69
▸ ADORA2A P29274 4/20 0.69
▸ HSP90B1 P14625 4/20 0.69
▸ ADORA1 P30542 3/20 0.69
▸ TSHR P16473 2/20 0.69
▸ BLM P54132 2/20 0.69
▸ RXFP1 Q9HBX9 1/20 0.69
▸ HRH1 P35367 1/20 0.69
▸ TMEM97 Q5BJF2 1/20 0.69
▸ CYP3A4 P08684 1/20 0.69
▸ MAPK1 P28482 1/20 0.69
▸ HSP90AA1 P07900 2/20 0.64
▸ METTL3 Q86U44 1/20 0.60
▸ METTL14 Q9HCE5 1/20 0.60
▸ AHCY P23526 1/20 0.60
▸ LMNA P02545 1/20 0.58
▸ THRB P10828 1/20 0.58
▸ KMT2A Q03164 1/20 0.58

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
SCHEMBL11409631 0.96 ADORA2B (0.70) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11409612 0.96 ADORA2B (0.70) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11518501 0.96 ADORA2B (0.70) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11416011 0.95 ADORA2B (0.69) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11415994 0.95 ADORA2B (0.69) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11408861 0.88 ADORA3 (0.67) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL9493927 0.87 ADORA3 (0.70) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11516945 0.87 ADORA3 (0.62) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL11703388 0.86 EZH2 (0.65) ADORA2BADORA3ADORA2AHSP90B1ADORA1
SCHEMBL6684253 0.85 ADORA3 (0.68) ADORA2BADORA3ADORA2AHSP90B1ADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0253962-B1 USE OF ADENOSINE DERIVATIVES AS ANTI-DEMENTIA AGENTS HOECHST JAPAN LIMITED (JP) 1993-03-24 — — EP disclosed
US-5023244-A Anti-dementia agents HOECHST JAPAN LIMITED (JP) 1991-06-11 — — US disclosed
US-5023244-A Anti-dementia agents HOECHST JAPAN LIMITED (JP) 1991-06-11 — — US disclosed
EP-0253962-A2 Use of adenosine derivatives as anti-dementia agents HOECHST JAPAN LIMITED (JP) 1988-01-27 — — EP disclosed
EP-0253962-A2 Use of adenosine derivatives as anti-dementia agents HOECHST JAPAN LIMITED (JP) 1988-01-27 — — EP disclosed
US-4167565-A Adenosine-5'-carboxamides and method of use ABBOTT LABORATORIES (US) 1979-09-11 — — US disclosed
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