⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1477369 | 0.73 | — | — | |
| SCHEMBL611033 | 0.67 | ALDH1A1 (0.50) | — | |
| SCHEMBL367001 | 0.65 | — | — | |
| SCHEMBL8179385 | 0.63 | — | — | |
| SCHEMBL10002607 | 0.63 | — | — | |
| SCHEMBL1998925 | 0.63 | — | — | |
| SCHEMBL8723824 | 0.63 | — | — | |
| SCHEMBL16776546 | 0.63 | — | — | |
| SCHEMBL3901220 | 0.63 | — | — | |
| SCHEMBL269743 | 0.61 | — | — |
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-9051279-B2 | Substituted isoquinolinones and quinazolinones | NOVARTIS AG (CH) | 2015-06-09 | — | — | US | disclosed |
| EP-2516009-B1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | NOVARTIS AG (CH) | 2014-09-24 | — | — | EP | disclosed |
| US-20130281473-A1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | NOVARTIS AG (CH) | 2013-10-24 | — | — | US | disclosed |
| US-8440693-B2 | Substituted isoquinolinones and quinazolinones | NOVARTIS AG (CH) | 2013-05-14 | — | — | US | disclosed |
| EP-2516009-A1 | SUBSTITUTED ISOQUINOLINONES AND QUINAZOLINONES | Novartis AG (CH) | 2012-10-31 | — | — | EP | disclosed |
| US-20110230457-A1 | Substituted Isoquinolinones and Quinazolinones | NOVARTIS AG (CH) | 2011-09-22 | — | — | US | disclosed |
| US-5618814-A | Trisubstituted pyrimido [5,4-d] pyrimidines for modulating multi-drug resistance and pharmaceutical compositions containing these compounds | DR. KARL THOMAE GMBH (DE) | 1997-04-08 | — | — | US | disclosed |
| EP-0645390-A1 | Trisubstituted pyrimido 5,4-d pyrimidines for modulating multidrug resistance, drugs containing these compounds and processes for their preparation | Dr. Karl Thomae GmbH (DE) | 1995-03-29 | — | — | EP | disclosed |