⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1284363 | 0.90 | — | — | |
| SCHEMBL1285084 | 0.80 | — | — | |
| SCHEMBL1285317 | 0.77 | TBK1 (0.40) | — | |
| SCHEMBL1284853 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL1285162 | 0.70 | CDK4 (0.41) | — | |
| SCHEMBL1285160 | 0.68 | WEE1 (0.40) | — | |
| SCHEMBL3715751 | 0.67 | LMNA (0.34) | — | |
| SCHEMBL1285233 | 0.65 | CDK4 (0.38) | — | |
| SCHEMBL1284416 | 0.62 | JAK3 (0.49) | — | |
| SCHEMBL1284926 | 0.61 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20120088753-A1 | PYRROLOPYRIMIDINES AND USED AS KINASE INHIBITORS | MEDICAL RESEARCH COUNCIL TECHNOLOGY (GB) | 2012-04-12 | — | — | US | disclosed |