SCHEMBL1740528

SCHEMBL1740528

CCCCCCCC(O)Cn1cnc2c(N)ncnc21

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 5/20 0.66
▸ AHCY P23526 1/20 0.66
▸ ADORA1 P30542 3/20 0.64
▸ ADA P00813 4/20 0.62
▸ CYP3A4 P08684 4/20 0.62
▸ PDE2A O00408 3/20 0.62
▸ ALDH1A1 P00352 3/20 0.62
▸ PDE4A P27815 1/20 0.62
▸ PDE4B Q07343 1/20 0.62
▸ PDE4C Q08493 1/20 0.62
▸ PDE4D Q08499 1/20 0.62
▸ KDM4E B2RXH2 1/20 0.62
▸ CYP1A2 P05177 1/20 0.62
▸ ALOX15 P16050 1/20 0.62
▸ SMN1; SMN2 Q16637 1/20 0.62
▸ HSD17B10 Q99714 1/20 0.62
▸ TSHR P16473 1/20 0.62
▸ HIF1A Q16665 1/20 0.62
▸ LMNA P02545 1/20 0.61
▸ BLM P54132 1/20 0.61

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
SCHEMBL13394190 0.90 ADORA2A (0.72) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL11253038 0.86 ADORA2A (0.47) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL8186532 0.85 ADORA2A (0.59) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL8194808 0.85 ADORA2A (0.59) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL8193948 0.85 ADORA2A (0.59) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL8186713 0.85 ADORA2A (0.59) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL8220260 0.85 ADORA2A (0.59) ADORA2AAHCYADORA1ADACYP3A4
SCHEMBL14963614 0.84 ADORA2A (0.76) ADORA2AAHCYADORA1CYP3A4ALDH1A1
SCHEMBL13394189 0.84 ADORA2A (0.76) ADORA2AAHCYADORA1CYP3A4ALDH1A1
SCHEMBL8217400 0.84 CYP3A4 (0.60) ADORA2AADORA1ADACYP3A4PDE2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12280057-B2 Vasoactive topical compound to affect tissue blood flow, reduce tissue necrosis and promote healing SOUTH DAKOTA BOARD OF REGENTS (US) 2025-04-22 — — US claimed
CN-104725628-B A kind of single functionalization branched polyethylene glycol, preparation method and its bio-related substance containing degradable group 厦门赛诺邦格生物科技股份有限公司 2018-04-17 — — CN claimed
US-7507707-B2 Methods of inducing ovulation using a non-polypeptide camp level modulator LABORATOIRES SERONO SA (CH) 2009-03-24 — — US claimed
US-12280057-B2 Vasoactive topical compound to affect tissue blood flow, reduce tissue necrosis and promote healing SOUTH DAKOTA BOARD OF REGENTS (US) 2025-04-22 — — US disclosed
US-20240052418-A1 METHOD FOR PREDICTING A SUBJECT'S RESPONSE TO SLC MODULATOR THERAPY NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2024-02-15 — — US disclosed
US-11814681-B2 Method for predicting a subjects response to SLC modulator therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2023-11-14 — — US disclosed
US-20210254158-A1 METHOD FOR PREDICTING A SUBJECTS RESPONSE TO SLC MODULATOR THERAPY RESEARCH FOUNDATION FOR MENTAL HYGIENE, INC. 2021-08-19 — — US disclosed
US-11041207-B2 Method for predicting a subject's response to valproic acid therapy THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2021-06-22 — — US disclosed
CN-112166124-A Antagonistic CD73 antibodies 勃林格殷格翰国际有限公司 2021-01-01 — — CN disclosed
EP-3207048-A1 COMPOSITIONS AND METHODS OF TREATING MUSCULAR DYSTROPHY The Broad Institute, Inc. (US) 2017-08-23 — — EP disclosed
US-20170224758-A1 COMPOSITIONS AND METHODS OF TREATING MUSCULAR DYSTROPHY THE BROAD INSTITUTE, INC. (US) 2017-08-10 — — US disclosed
US-5641763-A N-phosphonylmethoxyalkyl derivatives of pyrimdine and purine bases and a therapeutical composition therefrom with antiviral activity INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY OF THE ACADEMY OF SCIENCES OF THE CZECH REPUBLIC (CZ) 1997-06-24 — — US disclosed
EP-0633772-A1 MEDICAMENT AGAINST CARDIAC CIRCULATORY DISEASES Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1995-01-18 — — EP disclosed
WO-1993019742-A1 MEDICAMENT AGAINST CARDIAC CIRCULATORY DISEASES MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 1993-10-14 — — WO disclosed
US-5142051-A Viricides special for mutants of herpes viruses CESKOSLOVENSKA AKADEMIE VED (CS) 1992-08-25 — — US disclosed
EP-0227844-B1 ANTIVIRAL DRUG TEIJIN LIMITED (JP) 1992-05-13 — — EP disclosed
EP-0253412-B1 N-PHOSPHONYLMETHOXYALKYL DERIVATIVES OF PYRIMIDINE AND PURINE BASES, METHODS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS THEREFROM WITH ANTIVIRAL ACTIVITY Ceskoslovenska akademie ved (CS) 1990-10-31 — — EP disclosed
US-4868162-A 5-HALO-2*-DEOXYURIDINE DERIVATIVE TEIJIN LIMITED (JP) 1989-09-19 — — US disclosed
EP-0253412-A2 N-Phosphonylmethoxyalkyl derivatives of pyrimidine and purine bases, methods for their preparation and pharmaceutical compositions therefrom with antiviral activity Ceskoslovenska akademie ved (CS) 1988-01-20 — — EP disclosed
EP-0227844-A1 ANTIVIRAL DRUG TEIJIN LIMITED (JP) 1987-07-08 — — EP disclosed
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