⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1285084 | 0.88 | — | — | |
| SCHEMBL27825347 | 0.76 | CDK4 (0.46) | — | |
| SCHEMBL27825349 | 0.76 | MAP3K5 (0.47) | — | |
| SCHEMBL27825343 | 0.76 | CAMK2D (0.40) | — | |
| SCHEMBL28793682 | 0.74 | CDK4 (0.46) | — | |
| SCHEMBL27844373 | 0.74 | SYK (0.45) | — | |
| SCHEMBL28793684 | 0.74 | MAP3K5 (0.47) | — | |
| SCHEMBL27844447 | 0.73 | AURKA (0.47) | — | |
| SCHEMBL28793685 | 0.72 | AURKA (0.39) | — | |
| SCHEMBL27844363 | 0.71 | TBK1 (0.55) | — |
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 |