⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3545370 | 0.78 | ADRA1A (0.39) | — | |
| SCHEMBL10622254 | 0.74 | ADRA1A (0.39) | — | |
| SCHEMBL9958134 | 0.70 | RXRA (0.43) | — | |
| SCHEMBL1008746 | 0.69 | ADRB2 (0.32) | — | |
| SCHEMBL11879886 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL3002674 | 0.66 | SERPINE1 (0.39) | — | |
| SCHEMBL15067239 | 0.66 | KDM4E (0.32) | — | |
| SCHEMBL15067480 | 0.66 | KDM4E (0.32) | — | |
| SCHEMBL11167058 | 0.66 | PARP1 (0.39) | — | |
| SCHEMBL9958358 | 0.65 | STS (0.46) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2108019-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-2008094575-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-20100190787-A1 | Modulators of Mitotic Kinases | BIOGEN IDEC MA INC | 2010-07-29 | — | — | US | disclosed |
| EP-2108019-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-2008094575-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 |