⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1526446 | 0.78 | TSHR (0.34) | — | |
| SCHEMBL1526427 | 0.78 | ALDH1A1 (0.32) | — | |
| SCHEMBL1526619 | 0.73 | — | — | |
| SCHEMBL1526566 | 0.73 | — | — | |
| SCHEMBL1526053 | 0.70 | ALDH1A1 (0.40) | — | |
| SCHEMBL1526840 | 0.70 | PGK1 (0.31) | — | |
| SCHEMBL1429218 | 0.69 | — | — | |
| SCHEMBL30802832 | 0.69 | — | — | |
| SCHEMBL1526448 | 0.67 | — | — | |
| SCHEMBL13745097 | 0.64 | PIK3CA (0.35) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1885701-A2 | 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES | Novartis Vaccines and Diagnostics, Inc. (US) | 2008-02-13 | — | — | EP | claimed |
| US-20070027150-A1 | 2-Amino-quinazolin-5-ones | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2007-02-01 | — | — | US | claimed |
| WO-2006113498-A2 | 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES | NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) | 2006-10-26 | — | — | WO | claimed |
| US-8865732-B2 | Heterocyclic compounds and uses thereof | NOVARTIS AG (CH) | 2014-10-21 | — | — | US | disclosed |
| US-20130210818-A1 | Novel Heterocyclic Compounds and Uses Thereof | NOVARTIS AG (CH) | 2013-08-15 | — | — | US | disclosed |
| US-8129394-B2 | Heteroaryl-substituted imidazole compounds and uses thereof | NOVARTIS AG (CH) | 2012-03-06 | — | — | US | disclosed |
| EP-2274300-A2 | NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF | Novartis AG (CH) | 2011-01-19 | — | — | EP | disclosed |
| US-20100003246-A1 | Novel heterocyclic compounds and uses therof | NOVARTIS AG (CH) | 2010-01-07 | — | — | US | disclosed |
| WO-2009115572-A2 | NOVEL HETEROCYCLIC COMPOUNDS AND USES THEROF | NOVARTIS AG (CH) | 2009-09-24 | — | — | WO | disclosed |
| EP-1885701-A2 | 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES | Novartis Vaccines and Diagnostics, Inc. (US) | 2008-02-13 | — | — | EP | disclosed |
| US-20070027150-A1 | 2-Amino-quinazolin-5-ones | NOVARTIS VACCINES AND DIAGNOSTICS, INC. | 2007-02-01 | — | — | US | disclosed |
| WO-2006113498-A2 | 2-AMINO-QUINAZ0LIN-5-ONES AS HSP90 INHIBITORS USEFUL IN TREATING PROLIFERATION DISEASES | NOVARTIS VACCINES AND DIAGNOSTICS INC. (US) | 2006-10-26 | — | — | WO | disclosed |