⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6959845 | 0.94 | HDAC2 (0.68) | — | |
| SCHEMBL10986673 | 0.92 | HDAC2 (0.66) | — | |
| SCHEMBL6973305 | 0.84 | — | — | |
| SCHEMBL6880360 | 0.80 | — | — | |
| SCHEMBL16850492 | 0.79 | HDAC2 (0.62) | — | |
| SCHEMBL6965356 | 0.78 | — | — | |
| SCHEMBL5515923 | 0.78 | — | — | |
| SCHEMBL5624438 | 0.78 | HDAC2 (0.60) | — | |
| SCHEMBL28330132 | 0.78 | HDAC2 (0.60) | — | |
| SCHEMBL29269499 | 0.75 | HDAC2 (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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2020233592-A1 | HETEROCYCLIC COMPOUNDS, PREPARATION METHODS AND USES THEREOF | INVENTISBIO SHANGHAI LTD. (CN) | 2020-11-26 | — | — | WO | disclosed |
| US-9849139-B2 | Substituted quinazolines for inhibiting kinase activity | NEUPHARMA, INC. (US) | 2017-12-26 | — | — | US | disclosed |
| US-20170196881-A1 | SUBSTITUTED QUINAZOLINES FOR INHIBITING KINASE ACTIVITY | NEUPHARMA, INC. | 2017-07-13 | — | — | US | disclosed |
| US-20170050936-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2017-02-23 | — | — | US | disclosed |
| US-9550770-B2 | Substituted quinazolines for inhibiting kinase activity | NEUPHARMA, INC. (US) | 2017-01-24 | — | — | US | disclosed |
| US-20160304471-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2016-10-20 | — | — | US | disclosed |
| US-20150175601-A1 | CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS | NEUPHARMA, INC. | 2015-06-25 | — | — | US | disclosed |
| EP-1329160-A2 | 4-ACYLAMINOPYRAZOLE DERIVATIVES | Sankyo Company, Limited (JP) | 2003-07-23 | — | — | EP | disclosed |