⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21663036 | 1.00 | — | — | |
| SCHEMBL21663007 | 0.87 | KDM4E (0.34) | — | |
| SCHEMBL10192460 | 0.85 | — | — | |
| SCHEMBL10192463 | 0.83 | IGF1R (0.31) | — | |
| SCHEMBL10191418 | 0.83 | CDK4 (0.32) | — | |
| SCHEMBL21663200 | 0.83 | CDK4 (0.32) | — | |
| SCHEMBL10191425 | 0.80 | MDM4 (0.32) | — | |
| SCHEMBL10192459 | 0.78 | IGF1R (0.34) | — | |
| SCHEMBL10191416 | 0.78 | RECQL (0.30) | — | |
| SCHEMBL10191666 | 0.77 | IGF1R (0.32) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2595987-B1 | NEW AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INT (DE) | 2018-04-18 | — | — | EP | disclosed |
| US-8735386-B2 | Aminopyrazoloquinazolines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| US-8735386-B2 | Aminopyrazoloquinazolines | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2014-05-27 | — | — | US | disclosed |
| US-20120238542-A1 | AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-09-20 | — | — | US | disclosed |
| US-20120238542-A1 | AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-09-20 | — | — | US | disclosed |
| WO-2012010704-A1 | NEW AMINOPYRAZOLOQUINAZOLINES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2012-01-26 | — | — | WO | disclosed |