⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2879092 | 0.81 | PDE2A (0.32) | — | |
| SCHEMBL4673136 | 0.79 | TAAR1 (0.45) | — | |
| SCHEMBL28740900 | 0.70 | ESR1 (0.30) | — | |
| SCHEMBL27766870 | 0.68 | — | — | |
| SCHEMBL1382152 | 0.66 | — | — | |
| SCHEMBL28299258 | 0.66 | — | — | |
| SCHEMBL15954726 | 0.66 | — | — | |
| SCHEMBL3534300 | 0.66 | SLC6A4 (0.52) | — | |
| SCHEMBL16149774 | 0.66 | HRH1 (0.39) | — | |
| SCHEMBL3596579 | 0.66 | TAAR1 (0.60) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20110281821-A9 | Modulators of Mitotic Kinases | BIOGEN IDEC MA INC. (US) | 2011-11-17 | — | — | US | claimed |
| US-20100249067-A1 | Modulators of Mitotic Kinases | BIOGEN IDEC MA INC. (US) | 2010-09-30 | — | — | US | claimed |
| EP-2108020-A2 | 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | Biogen Idec MA, Inc. (US) | 2009-10-14 | — | — | EP | claimed |
| WO-2008094602-A2 | 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | BIOGEN IDEC MA INC. (US) | 2008-08-07 | — | — | WO | claimed |
| US-20110281821-A9 | Modulators of Mitotic Kinases | BIOGEN IDEC MA INC. (US) | 2011-11-17 | — | — | US | disclosed |
| US-20100249067-A1 | Modulators of Mitotic Kinases | BIOGEN IDEC MA INC. (US) | 2010-09-30 | — | — | US | disclosed |
| EP-2108020-A2 | 1-H-PYRAZOLO[3,4B]PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | Biogen Idec MA, Inc. (US) | 2009-10-14 | — | — | EP | disclosed |
| WO-2008094602-A2 | 1-H-PYRAZOLO (3,4B) PYRIMIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF MITOTIC KINASES | BIOGEN IDEC MA INC. (US) | 2008-08-07 | — | — | WO | disclosed |