⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31528248 | 0.81 | ADORA1 (0.35) | — | |
| SCHEMBL31038532 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL31625047 | 0.76 | — | — | |
| SCHEMBL24387224 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL31305879 | 0.73 | GAA (0.34) | — | |
| SCHEMBL31038498 | 0.73 | ROCK1 (0.34) | — | |
| SCHEMBL31625294 | 0.72 | KDM4E (0.30) | — | |
| SCHEMBL1744654 | 0.68 | MAPT (0.32) | — | |
| SCHEMBL18414638 | 0.67 | AHR (0.33) | — | |
| SCHEMBL24386981 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-114057744-B | Process for preparing KRAS G12C inhibitors imidazotriazines and pyrrolopyrimidine derivatives | 百济神州(北京)生物科技有限公司 | 2025-01-17 | — | — | CN | disclosed |
| CN-114057743-B | Process for preparing KRAS G12C inhibitors imidazotriazines and pyrrolopyrimidine derivatives | 百济神州(北京)生物科技有限公司 | 2025-01-07 | — | — | CN | disclosed |
| EP-2872514-A1 | IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS | Bristol-Myers Squibb Company (US) | 2015-05-20 | — | — | EP | disclosed |
| WO-2014011974-A1 | IMIDAZOTRIAZINECARBONITRILES USEFUL AS KINASE INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2014-01-16 | — | — | WO | disclosed |