⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL1180577 | 0.77 | — | — | |
| SCHEMBL1373806 | 0.77 | — | — | |
| SCHEMBL6360183 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL27836282 | 0.76 | GSK3B (0.46) | — | |
| Iodide SCHEMBL6960852 | 0.76 | GSK3B (0.55) | — | |
| Iodide SCHEMBL27850819 | 0.76 | GSK3B (0.46) | — | |
| Iodide SCHEMBL6962185 | 0.76 | GSK3B (0.55) | — | |
| SCHEMBL2924542 | 0.74 | — | — | |
| SCHEMBL7414624 | 0.74 | — | — | |
| SCHEMBL24577691 | 0.73 | GSK3B (0.52) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080058356-A1 | 2,6 Bisheteroaryl-4-Aminopyrimidines as Adenosine Receptor Antagonists | NEUROCRINE BIOSCIENCES, INC. (US) | 2008-03-06 | — | — | US | disclosed |
| EP-1697351-A1 | 2,6-BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | Almirall Prodesfarma AG (CH) | 2006-09-06 | — | — | EP | disclosed |
| WO-2005058883-A1 | 2, 6 BISHETEROARYL-4-AMINOPYRIMIDINES AS ADENOSINE RECEPTOR ANTAGONISTS | ALMIRALL PRODESFARMA AG (CH) | 2005-06-30 | — | — | WO | disclosed |
| US-20030180804-A1 | Solid phase synthesis of chemical libraries | CORVAS INTERNATIONAL, INC | 2003-09-25 | — | — | US | disclosed |
| WO-2003037326-A1 | SOLID PHASE SYNTHESIS OF CHEMICAL LIBRARIES | CORVAS INTERNATIONAL, INC. (US) | 2003-05-08 | — | — | WO | disclosed |
| US-6515002-B2 | 4-(4-(1-phenyl-5-propylpyrazol4-yl)(1,3-thiazol-2-yl))-5 -methylthiothiophene-2-carboxamidine, for example; complement inhibitors; treating tissue damage, inflammation, or autoimmune diseases | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2003-02-04 | — | — | US | disclosed |
| US-6403633-B2 | USEFUL ANTIANGIOGENIC, ANTIARTHRITIC, ANTIINFLAMMATORY, ANTIRESTENOTIC, ANTIINVASIVE, ANTIMETASTIC, ANTIOSTEOPOROTIC, ANTIRETINOPATHIC, CONTRACEPTIVE AND TUMORISTATIC TREATMENT AGENTS | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2002-06-11 | — | — | US | disclosed |
| US-6291514-B1 | Heteroaryl amidines, methylamidines and guanidines, preparation thereof, and use thereof as protease inhibitors | 3-DIMENSIONAL PHARMACEUTICALS, INC. | 2001-09-18 | — | — | US | disclosed |