⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1307261 | 0.76 | — | — | |
| SCHEMBL2838003 | 0.72 | CHRM2 (0.30) | — | |
| SCHEMBL6963423 | 0.71 | — | — | |
| SCHEMBL6701925 | 0.69 | EPHX1 (0.30) | — | |
| SCHEMBL16458943 | 0.68 | CA12 (0.34) | — | |
| SCHEMBL6069327 | 0.68 | — | — | |
| SCHEMBL2439447 | 0.65 | CTSK (0.32) | — | |
| SCHEMBL7477261 | 0.65 | CTSK (0.32) | — | |
| SCHEMBL1296518 | 0.63 | HPGD (0.33) | — | |
| SCHEMBL7603453 | 0.63 | EPHX1 (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3049417-B1 | PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2018-10-17 | — | — | EP | disclosed |
| US-10005784-B2 | Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2018-06-26 | — | — | US | disclosed |
| US-9738648-B2 | Pyridines, pyrimidines, and pyrazines, as BTK inhibitors and uses thereof | MERCK PATENT GMBH (DE) | 2017-08-22 | — | — | US | disclosed |
| US-20170226113-A1 | PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2017-08-10 | — | — | US | disclosed |
| US-20160159804-A1 | PYRIDINES, PYRIMIDINES, AND PYRAZINES, AS BTK INHIBITORS AND USES THEREOF | MERCK PATENT GMBH (DE) | 2016-06-09 | — | — | US | disclosed |