⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8937785 | 0.74 | — | — | |
| SCHEMBL3525846 | 0.74 | — | — | |
| SCHEMBL3389565 | 0.73 | — | — | |
| SCHEMBL312141 | 0.67 | — | — | |
| SCHEMBL294825 | 0.61 | KDM4E (0.30) | — | |
| SCHEMBL312249 | 0.59 | — | — | |
| SCHEMBL8037350 | 0.59 | KDM4E (0.31) | — | |
| SCHEMBL16439892 | 0.58 | — | — | |
| SCHEMBL311916 | 0.58 | ACHE (0.33) | — | |
| SCHEMBL3393581 | 0.58 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2109612-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | AstraZeneca AB (SE) | 2009-10-21 | — | — | EP | claimed |
| WO-2008093075-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | claimed |
| EP-2145888-A1 | Deazapurine derivatives as HSP90-Inhibitors | Conforma Therapeutics Corporation (US) | 2010-01-20 | — | — | EP | disclosed |
| EP-2109612-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | AstraZeneca AB (SE) | 2009-10-21 | — | — | EP | disclosed |
| WO-2008093075-A2 | 5,6,7,8-TETRAHYDROPTERIDINE DERIVATIVES AS HSP90 INHIBITORS | ASTRAZENECA AB (SE) | 2008-08-07 | — | — | WO | disclosed |
| US-20070185064-A1 | 2-Aminopurine Analogs Having HSP90-Inhibiting Activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-08-09 | — | — | US | disclosed |
| US-20070111997-A1 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2007-05-17 | — | — | US | disclosed |
| US-7138401-B2 | 2-aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-11-21 | — | — | US | disclosed |
| US-7129244-B2 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION (US) | 2006-10-31 | — | — | US | disclosed |
| US-20050113339-A1 | Triazolopyrimidines and related analogs as HSP90-inhibitors | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |
| US-20050113340-A1 | 2-Aminopurine analogs having HSP90-inhibiting activity | CONFORMA THERAPEUTICS CORPORATION | 2005-05-26 | — | — | US | disclosed |