⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2927180 | 0.86 | MEN1 (0.33) | — | |
| SCHEMBL2932427 | 0.81 | ELANE (0.38) | — | |
| SCHEMBL2929071 | 0.79 | PDGFRA (0.40) | — | |
| SCHEMBL2926169 | 0.78 | — | — | |
| SCHEMBL2930410 | 0.77 | — | — | |
| SCHEMBL2931949 | 0.76 | GSK3B (0.40) | — | |
| SCHEMBL4226885 | 0.75 | MEN1 (0.33) | — | |
| SCHEMBL4780872 | 0.75 | — | — | |
| SCHEMBL2929617 | 0.73 | ALDH1A1 (0.42) | — | |
| SCHEMBL2931311 | 0.72 | ACP1 (0.41) | — |
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-1611131-B1 | PYRAZOLOPYRIDINE DERIVATES | PALAU PHARMA SA (ES) | 2010-09-15 | — | — | EP | claimed |
| US-8377983-B2 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | TRANSTECH PHARMA, INC. (US) | 2013-02-19 | — | — | US | disclosed |
| US-7820821-B2 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | TRANSTECH PHARMA, INC. (US) | 2010-10-26 | — | — | US | disclosed |
| US-20100152170-A1 | Benzazole Derivatives, Compositions, And Methods Of Use As Aurora Kinase Inhibitors | TRANSTECH PHARMA, INC. (US) | 2010-06-17 | — | — | US | disclosed |
| US-20070219235-A1 | Benzazole derivatives, compositions, and methods of use as aurora kinase inhibitors | VTVX HOLDINGS I LLC | 2007-09-20 | — | — | US | disclosed |