SCHEMBL1193370

SCHEMBL1193370

Cc1ncnc2c1ncn2S

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 8/20 0.37
ADORA1 P30542 6/20 0.37
YTHDC1 Q96MU7 2/20 0.35
PI4KA P42356 6/20 0.34
PI4K2B Q8TCG2 6/20 0.34
PI4K2A Q9BTU6 6/20 0.34
PI4KB Q9UBF8 6/20 0.34
ADORA2B P29275 3/20 0.34
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL441875 0.77 ADORA1 (0.62) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL9074153 0.75 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL320849 0.75 ADORA2A (0.41) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL784393 0.72 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14356547 0.72 PI4KA (0.66) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL24236911 0.72 YTHDC1 (0.41) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL14190719 0.72 ADORA2A (0.66) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL1898082 0.71 HSP90AB1 (0.41)
SCHEMBL27597435 0.71 ADORA2A (0.34) ADORA2AADORA1YTHDC1PI4KAPI4K2B
SCHEMBL13811638 0.71 SRC (0.47) ADORA2AADORA1YTHDC1PI4KAPI4K2B

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 259 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117092260-A Liquid chromatography-mass spectrometry analysis method for simultaneously detecting 6 immunosuppressant concentrations 苏州和合医学检验有限公司 2023-11-21 CN claimed
CN-117074581-A Pretreatment method for blood sample for simultaneously detecting 6 immunosuppressant concentrations 苏州和合医学检验有限公司 2023-11-17 CN claimed
CN-117074582-A Method for simultaneously detecting concentration of 6 immunosuppressants in blood 苏州和合医学检验有限公司 2023-11-17 CN claimed
CN-101856313-B Association of monosaccharides and adenosine and its cosmetic use OREAL 2014-02-19 CN claimed
CN-101856313-A Association of monosaccharides and adenosine and its cosmetic use OREAL 2010-10-13 CN claimed
US-20100029692-A1 METHODS OF OPTIMIZING DRUG THERAPEUTIC EFFICACY FOR TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS HOPITAL-SAINTE-JUSTINE (CA) 2010-02-04 US claimed
EP-1825254-A4 METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY PROMETHEUS LAB INC (US) 2009-01-14 EP claimed
US-7326694-B2 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL SAINTE-JUSTINE (CA) 2008-02-05 US claimed
EP-1825254-A2 METHOD FOR OPTIMIZING THIOPURINE EFFICACY AND TOXICITY USING MASS SPECTROMETRY Prometheus Laboratories, Inc. (US) 2007-08-29 EP claimed
US-20070197554-A1 METHODS OF OPTIMIZING DRUG THERAPEUTIC EFFICACY FOR TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS HOPITAL SAINTE-JUSTINE (CA) 2007-08-23 US claimed
US-20040097527-A1 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL SAINTE-JUSTINE 2004-05-20 US claimed
US-6680302-B2 ADMINISTERING A 6- MERCAPTOPURINE DRUG TO A PATIENT HAVING IMMUNE-MEDIATED GASTROINTESTINAL DISORDER AND DETERMINING A LEVEL OF 6-THIOGUANINE IN THE PATIENT HOSPITAL SAINTE-JUSTINE (CA) 2004-01-20 US claimed
CN-1431909-A Combinations for treating neoplasms YU BAOFA (US) 2003-07-23 CN claimed
US-20020082239-A1 Methods of optimizing drug therapeutic efficacy for treatment of immune-mediated gastrointestinal disorders HOPITAL-SAINTE-JUSTINE (CA) 2002-06-27 US claimed
US-6355623-B2 DETERMINING THE LEVEL OF 6-THIOGUANINE METABOLITE WHEREIN A LEVEL OF 6-THIOGUANINE LESS THAN ABOUT 230 PMOL PER 8 X 108 RED BLOOD CELLS INDICATES A DRUG INCREASE; A LEVEL OF 400PMOL INDICATES A DECREASE; NONTOXIC HOPITAL-SAINTE-JUSTINE (CA) 2002-03-12 US claimed
EP-1115403-A1 OPTIMIZED USE OF 6-MERCAPTOPURINE DRUG IN THE TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS Hospital Sainte-Justine (CA) 2001-07-18 EP claimed
US-20010006970-A1 Determining the level of 6-thioguanine metabolite wherein a level of 6-thioguanine less than about 230 pmol per 8 x 108 red blood cells indicates a drug increase; a level of 400pmol indicates a decrease; nontoxic HOPITAL SAINTE-JUSTINE 2001-07-05 US claimed
WO-2000016780-A1 OPTIMIZED USE OF 6-MERCAPTOPURINE DRUG IN THE TREATMENT OF IMMUNE-MEDIATED GASTROINTESTINAL DISORDERS HOPITAL SAINTE-JUSTINE (CA) 2000-03-30 WO claimed
CN-1220605-A Nucleotide analogues for topical treatment of skin cell proliferative disorders KARL Y HOSTETLER (US) 1999-06-23 CN claimed
US-5264561-A Reaction with an acid anhydride in the presence of a catalyst such as zirconium oxide, titanium oxide, alumina and acetic anhydride JAPAN TOBACCO INC. (JP) 1993-11-23 US claimed