⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6202508 | 0.82 | LCK (0.30) | — | |
| SCHEMBL6204274 | 0.82 | CCR4 (0.33) | — | |
| SCHEMBL6201142 | 0.81 | CDK1 (0.46) | — | |
| SCHEMBL6203460 | 0.81 | MTOR (0.32) | — | |
| SCHEMBL6204524 | 0.81 | CCNE2 (0.34) | — | |
| SCHEMBL6204534 | 0.80 | CLK1 (0.36) | — | |
| SCHEMBL6205187 | 0.79 | HTR2C (0.42) | — | |
| SCHEMBL6202531 | 0.78 | CDK5 (0.46) | — | |
| SCHEMBL6203326 | 0.78 | CDK2 (0.38) | — | |
| SCHEMBL3444057 | 0.77 | CDK2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1539760-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2005-06-15 | — | — | EP | claimed |
| WO-2004018473-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2004-03-04 | — | — | WO | claimed |
| EP-1539760-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2005-06-15 | — | — | EP | disclosed |
| WO-2004018473-A2 | AZAPURINE DERIVATIVES | INSTITUTE OF EXPERIMENTAL BOTANY ASCR (CZ) | 2004-03-04 | — | — | WO | disclosed |