⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21810555 | 0.77 | — | — | |
| SCHEMBL4566571 | 0.69 | — | — | |
| SCHEMBL9693350 | 0.69 | — | — | |
| SCHEMBL28319850 | 0.69 | — | — | |
| SCHEMBL12442210 | 0.65 | — | — | |
| SCHEMBL9683531 | 0.65 | — | — | |
| SCHEMBL17450861 | 0.62 | — | — | |
| SCHEMBL988545 | 0.61 | — | — | |
| SCHEMBL18871417 | 0.56 | — | — | |
| SCHEMBL13287149 | 0.56 | — | — |
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-9663524-B2 | Substituted pyrido[2,3-d]pyrimidines as protein kinase inhibitors | CELGENE CAR LLC (BM) | 2017-05-30 | — | — | US | disclosed |
| US-20160002176-A1 | ERK INHIBITORS AND USES THEREOF | CELGENE AVILOMICS RESEARCH, INC. (US) | 2016-01-07 | — | — | US | disclosed |