SCHEMBL104095

SCHEMBL104095

Nc1nc(Cl)nc2c1ncn2[C@@H]1O[C@H](CO)C(O)C1O

nearest known ligand 0.81

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.81
ADORA2A P29274 5/20 0.81
PDE2A O00408 1/20 0.81
ADORA1 P30542 1/20 0.81
ADRA1A P35348 1/20 0.81
PDE4D Q08499 1/20 0.81
PDE3A Q14432 1/20 0.81
LMNA P02545 2/20 0.78
TP53 P04637 1/20 0.78
NT5E P21589 1/20 0.75
HIF1A Q16665 1/20 0.75
ADORA2B P29275 3/20 0.73
CA1 P00915 1/20 0.72
CA2 P00918 1/20 0.72
CA4 P22748 1/20 0.72
CA9 Q16790 1/20 0.72

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
SCHEMBL6837087 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL19953842 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1663268 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL20128458 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL13863559 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL104094 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL1389446 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL397323 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL6886946 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A
SCHEMBL4535914 1.00 ADORA3 (0.81) ADORA3ADORA2APDE2AADORA1ADRA1A

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

Appears in 3013 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4729063-A2 TREATMENT OF CANCER USING COENZYME Q10 COMBINATION THERAPIES BPGbio, Inc. (US) 2026-04-22 EP claimed
US-12209285-B2 Methods for treatment of oncological disorders using an epimetabolic shifter (coenzyme Q10) BPGBIO, INC. (US) 2025-01-28 US claimed
EP-4444877-A2 MODIFIED IMMUNE CELLS AND METHODS OF USING THE SAME Beam Therapeutics Inc. (US) 2024-10-16 EP claimed
CN-113943334-B A, A 2A Process for preparing adenosine receptor agonists 常州方圆制药有限公司 2024-04-09 CN claimed
CN-114249785-B Preparation method of 2-adenosine N-pyrazole derivative regadenoson 常州方圆制药有限公司 2024-04-05 CN claimed
CN-117467726-A Preparation method of purine nucleoside 天津凯莱英生物科技有限公司 2024-01-30 CN claimed
US-20240024243-A1 Fine Dry Particulate Adenosine Compositions and Topical Formulations Including the Same LABORATORY SKIN CARE, INC. 2024-01-25 US claimed
CN-117430647-A Preparation method of regadenoson 康普药业股份有限公司 2024-01-23 CN claimed
WO-2023108107-A2 MODIFIED IMMUNE CELLS AND METHODS OF USING THE SAME BEAM THERAPEUTICS INC. (US) 2023-06-15 WO claimed
CN-110483602-B Preparation method of regadenoson 常州方圆制药有限公司 2022-05-17 CN claimed
WO-1998057651-A1 COMPOSITIONS AND METHODS FOR PREVENTING RESTENOSIS FOLLOWING REVASCULARIZATION PROCEDURES DISCOVERY THERAPEUTICS, INC. (US) 1998-12-23 WO claimed
US-5679650-A SIDE EFFECT REDUCTION ADENOCOMP, LLC 1997-10-21 US claimed
EP-0735888-A1 PURINE COMPOSITIONS AND METHODS FOR ADMINISTRATION FUKUNAGA, Atsuo F. (US) 1996-10-09 EP claimed
US-5474929-A Adenosine deaminase gene NATIONAL RESEARCH COUNCIL OF CANADA (CA) 1995-12-12 US claimed
US-5424297-A Adenosine dextran conjugates UNIVERSITY OF VIRGINIA ALUMNI PATENTS FOUNDATION (US) 1995-06-13 US claimed
WO-1995014478-A1 PURINE COMPOSITIONS AND METHODS FOR ADMINISTRATION FUKUNAGA ATSUO F (US) 1995-06-01 WO claimed
US-5284834-A Coronary vasodilation THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1994-02-08 US claimed
US-5070877-A Using adenosin receptor agonist MEDCO RESEARCH, INC. (US) 1991-12-10 US claimed
US-4948783-A ORALLY ADMINISTERING ADENOSINE OR DERIVATIVE KABUSHIKI KAISYA ADVANCE KAIHATSU KENKYUJO (JP) 1990-08-14 US claimed
US-4311482-A Method and apparatus for collecting blood samples ABBOTT LABORATORIES (US) 1982-01-19 US claimed