⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14682125 | 0.96 | — | — | |
| SCHEMBL14681975 | 0.83 | CDK4 (0.40) | — | |
| SCHEMBL13553937 | 0.82 | — | — | |
| SCHEMBL13553529 | 0.81 | PAK4 (0.48) | — | |
| SCHEMBL15041696 | 0.80 | JAK2 (0.39) | — | |
| SCHEMBL15041717 | 0.77 | — | — | |
| SCHEMBL13553534 | 0.76 | PAK4 (0.47) | — | |
| SCHEMBL15035970 | 0.75 | JAK2 (0.39) | — | |
| SCHEMBL15041523 | 0.74 | BTK (0.39) | — | |
| SCHEMBL15785343 | 0.74 | CDK4 (0.40) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20140163026-A1 | 8-ETHYL-6-(ARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF NERVOUS SYSTEM DISORDERS AND CANCER | AFRAXIS HOLDINGS, INC. (US) | 2014-06-12 | — | — | US | disclosed |
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |