⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5627732 | 0.70 | — | — | |
| SCHEMBL15660133 | 0.67 | ALDH1A1 (0.31) | — | |
| SCHEMBL2292798 | 0.63 | — | — | |
| SCHEMBL1030182 | 0.62 | — | — | |
| SCHEMBL1160235 | 0.62 | — | — | |
| SCHEMBL11867203 | 0.60 | — | — | |
| SCHEMBL2647293 | 0.60 | EPAS1 (0.32) | — | |
| SCHEMBL10757117 | 0.60 | EPAS1 (0.32) | — | |
| SCHEMBL6216411 | 0.60 | DRD2 (0.44) | — | |
| SCHEMBL11020237 | 0.59 | DRD2 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8163768-B2 | 4-(4-Hydroxy-3-methyl-phenyl)-2,4,6,7,8,9-hexahydro-pyrazolo[3,4-b]-1,7-naphthyridin-5-one; inhibiting Aurora kinase; inhibiting the proliferation of tumor cells; cancer, psoriasis, leukaemia and lupus | AVENTIS PHARMA S.A.. (FR) | 2012-04-24 | — | — | US | disclosed |
| EP-1910366-B1 | 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA SA (FR) | 2011-08-24 | — | — | EP | disclosed |
| US-20080261969-A1 | 1,4-Dihydropyridine-Fused Heterocycles, Process for Preparing the Same, Use and Compositions Containing Them | AVENTIS PHARMA S.A. (FR) | 2008-10-23 | — | — | US | disclosed |
| EP-1910366-A2 | 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM | Aventis Pharma S.A. (FR) | 2008-04-16 | — | — | EP | disclosed |
| WO-2007012972-A2 | 1,4-DIHYDROPYRIDINE-FUSED HETEROCYCLES, PROCESS FOR PREPARING THE SAME, USE AND COMPOSITIONS CONTAINING THEM | AVENTIS PHARMA S.A. (FR) | 2007-02-01 | — | — | WO | disclosed |