⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20387096 | 0.69 | — | — | |
| SCHEMBL15427286 | 0.67 | — | — | |
| SCHEMBL91423 | 0.67 | — | — | |
| SCHEMBL1565529 | 0.67 | — | — | |
| SCHEMBL2324015 | 0.67 | — | — | |
| SCHEMBL6919917 | 0.67 | — | — | |
| SCHEMBL1766234 | 0.67 | — | — | |
| SCHEMBL17410144 | 0.67 | — | — | |
| SCHEMBL7974494 | 0.63 | — | — | |
| SCHEMBL24713288 | 0.62 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102036995-B | Triazine compounds as inhibitors of PI3 kinase and mTOR | WYETH CORP | 2014-09-17 | — | — | CN | disclosed |
| CN-103153300-A | Heteroaryls and uses thereof | MILLENNIUM PHARM INC | 2013-06-12 | — | — | CN | disclosed |
| CN-102911172-A | Heteroaryl pyrimidine derivatives and preparation method and application thereof | SHANGHAI HENGRUI MEDICINE CO LTD | 2013-02-06 | — | — | CN | disclosed |
| CN-102066365-A | Thiophene or thiazole derivatives and their use as PI3K inhibitors | MILLENNIUM PHARM INC | 2011-05-18 | — | — | CN | disclosed |
| CN-102036995-A | Triazine compounds as inhibitors of PI3 kinase and mTOR | WYETH CORP | 2011-04-27 | — | — | CN | disclosed |
| WO-2009097490-A1 | 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-08-06 | — | — | WO | disclosed |
| US-20090192176-A1 | 1H-PYRAZOLO[3,4-D]PYRIMIDINE, PURINE, 7H-PURIN-8(9H)-ONE, 3H-[1,2,3]TRIAZOLO[4,5-D]PYRIMIDINE, AND THIENO[3,2-D]PYRIMIDINE COMPOUNDS, THEIR USE AS mTOR KINASE AND PI3 KINASE INHIBITORS, AND THEIR SYNTHESES | WYETH (US) | 2009-07-30 | — | — | US | disclosed |