SCHEMBL8823867

SCHEMBL8823867

Oc1nc2ncnc(S)c2[nH]1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ PI4KA P42356 4/20 0.34
▸ PI4K2B Q8TCG2 4/20 0.34
▸ PI4K2A Q9BTU6 4/20 0.34
▸ PI4KB Q9UBF8 4/20 0.34
▸ LMNA P02545 1/20 0.33
▸ NUDT1 P36639 2/20 0.33
▸ GSK3B P49841 1/20 0.31
▸ EGLN1 Q9GZT9 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
SCHEMBL2639251 0.79 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3799507 0.79 ADORA2A (0.37) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL3857164 0.78 AKT2 (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL42335 0.76 ADORA2A (0.61) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL5490464 0.76 KDM4E (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL8823861 0.73 — —
SCHEMBL9731613 0.73 PI4KA (0.67) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL11280522 0.72 ADORA2A (0.33) ADORA2AADORA1NUDT1
SCHEMBL9503841 0.72 PDPK1 (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL355788 0.72 GSK3B (0.41) ADORA2AADORA1NUDT1GSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828308-B2 Treatment of non-alcoholic fatty liver disease or non-alcoholic steatohepatitis with delayed-release 6-mercaptopurine HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2020-11-10 — — US disclosed
US-20190000854-A1 TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OR NON-ALCOHOLIC STEATOHEPATITIS WITH DELAYED-RELEASE 6-MERCAPTOPURINE HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2019-01-03 — — US disclosed
EP-3362053-A1 TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OR NON-ALCOHOLIC STEATOHEPATITIS WITH DELAYED-RELEASE 6-MERCAPTOPURINE Teva Pharmaceutical Industries Ltd. (IL) 2018-08-22 — — EP disclosed
US-20170105996-A1 TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OR NON-ALCOHOLIC STEATOHEPATITIS WITH DELAYED-RELEASE 6-MERCAPTOPURINE TEVA PHARMACEUTICAL INDUSTRIES, LTD. (IL) 2017-04-20 — — US disclosed
WO-2017066619-A1 TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE OR NON-ALCOHOLIC STEATOHEPATITIS WITH DELAYED-RELEASE 6-MERCAPTOPURINE TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) 2017-04-20 — — WO disclosed
US-5635522-A 4-NITRO-5-HETEROCYCLIC THIO-IMIDAZOLES; NONTOXIC TO BONE MARROW THE UNIVERSITY OF SHEFFIELD (GB) 1997-06-03 — — US disclosed
EP-0423221-B1 IMMUNOSUPPRESSIVE AGENTS UNIV SHEFFIELD (GB) 1996-09-25 — — EP disclosed
US-5514697-A 5-/BENZOTHIAZOLYLTHIO/-4-NITROIMIDAZOLES THE UNIVERSITY OF SHEFFIELD (GB) 1996-05-07 — — US disclosed
US-5300519-A 4-Nitro-imidazole derivatives THE UNIVERSITY OF SHEFFIELD (GB) 1994-04-05 — — US disclosed
EP-0423221-A1 IMMUNOSUPPRESSIVE AGENTS. UNIV SHEFFIELD (GB) 1991-04-24 — — EP disclosed
WO-1990000549-A1 IMMUNOSUPPRESSIVE AGENTS THE UNIVERSITY OF SHEFFIELD (GB) 1990-01-25 — — WO disclosed
US-3969188-A Method of producing guanosine by fermentation AJINOMOTO CO., INC. (JA) 1976-07-13 — — US disclosed
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