⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1921575 | 0.65 | — | — | |
| SCHEMBL14530733 | 0.61 | — | — | |
| SCHEMBL6566171 | 0.61 | — | — | |
| SCHEMBL6718535 | 0.58 | — | — | |
| SCHEMBL329462 | 0.58 | — | — | |
| SCHEMBL3151557 | 0.52 | — | — | |
| SCHEMBL20891 | 0.52 | — | — | |
| SCHEMBL2509681 | 0.50 | — | — | |
| SCHEMBL6053208 | 0.50 | — | — | |
| SCHEMBL129884 | 0.44 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2651949-A1 | SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY | Bayer Intellectual Property GmbH (DE) | 2013-10-23 | — | — | EP | disclosed |
| WO-2012080237-A1 | SUBSTITUTED PYRIMIDO[1,2-B]INDAZOLES AND THEIR USE AS MODULATORS OF THE PI3K/AKT PATHWAY | BAYER PHARMA AKTIENGESELLSCHAFT (DE) | 2012-06-21 | — | — | WO | disclosed |