⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6982703 | 1.00 | — | — | |
| SCHEMBL1854377 | 1.00 | — | — | |
| SCHEMBL12661416 | 1.00 | — | — | |
| SCHEMBL1854376 | 1.00 | — | — | |
| SCHEMBL12661417 | 1.00 | — | — | |
| SCHEMBL1827359 | 0.78 | — | — | |
| SCHEMBL12289687 | 0.78 | — | — | |
| SCHEMBL12223046 | 0.78 | — | — | |
| SCHEMBL4966905 | 0.69 | — | — | |
| SCHEMBL8995159 | 0.68 | — | — |
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-9963448-B2 | Bicyclic inhibitors of PAD4 | PADLOCK THERAPEUTICS, INC. (US) | 2018-05-08 | — | — | US | disclosed |
| US-9309252-B2 | Pyrrolopyrimidine compounds as inhibitors of CDK4/6 | NOVARTIS AG (CH) | 2016-04-12 | — | — | US | disclosed |
| EP-2536730-B1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2015-07-08 | — | — | EP | disclosed |
| US-20150099737-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2015-04-09 | — | — | US | disclosed |
| US-8957074-B2 | Pyrrolopyrimidine compounds as inhibitors of CDK4/6 | NOVARTIS AG (CH) | 2015-02-17 | — | — | US | disclosed |
| US-20130150342-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2013-06-13 | — | — | US | disclosed |
| EP-2536730-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | Novartis AG (CH) | 2012-12-26 | — | — | EP | disclosed |
| WO-2011101409-A1 | PYRROLOPYRIMIDINE COMPOUNDS AS INHIBITORS OF CDK4/6 | NOVARTIS AG (CH) | 2011-08-25 | — | — | WO | disclosed |