⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL486022 | 0.75 | — | — | |
| SCHEMBL3282874 | 0.68 | — | — | |
| SCHEMBL4806362 | 0.65 | — | — | |
| SCHEMBL14966742 | 0.63 | — | — | |
| SCHEMBL4391911 | 0.63 | — | — | |
| SCHEMBL1141344 | 0.62 | — | — | |
| SCHEMBL1706420 | 0.55 | — | — | |
| SCHEMBL13991620 | 0.53 | — | — | |
| SCHEMBL1822182 | 0.53 | ALDH1A1 (0.36) | — | |
| SCHEMBL14193280 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2688886-A1 | AZOLE COMPOUNDS AS PIM INHIBITORS | Amgen Inc. (US) | 2014-01-29 | — | — | EP | disclosed |
| WO-2012129338-A1 | AZOLE COMPOUNDS AS PIM INHIBITORS | AMGEN INC. (US) | 2012-09-27 | — | — | WO | disclosed |
| EP-2440558-A1 | DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK | Takeda Pharmaceutical Company Limited (JP) | 2012-04-18 | — | — | EP | disclosed |
| WO-2010144486-A1 | DIHYDROPYRROLONAPHTYRIDINONE COMPOUNDS AS INHIBITORS OF JAK | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-12-16 | — | — | WO | disclosed |