⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3742608 | 1.00 | — | — | |
| SCHEMBL3748096 | 0.84 | OPRM1 (0.30) | — | |
| SCHEMBL3748097 | 0.84 | OPRM1 (0.30) | — | |
| SCHEMBL4433095 | 0.79 | L3MBTL1 (0.38) | — | |
| SCHEMBL13052389 | 0.78 | CHRM2 (0.34) | — | |
| SCHEMBL14327679 | 0.78 | CHRM2 (0.34) | — | |
| SCHEMBL5027219 | 0.76 | — | — | |
| SCHEMBL23145359 | 0.74 | — | — | |
| SCHEMBL1743297 | 0.74 | PIN1 (0.40) | — | |
| SCHEMBL3663142 | 0.74 | PPM1D (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20150051217-A1 | HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR | ARRAY BIOPHARMA INC (US) | 2015-02-19 | — | — | US | disclosed |
| US-8853216-B2 | Hydroxylated pyrimidyl cyclopentane as AKT protein kinase inhibitor | ARRAY BIOPHARMA, INC. (US) | 2014-10-07 | — | — | US | disclosed |
| EP-2240455-B1 | HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR | ARRAY BIOPHARMA INC (US) | 2012-12-26 | — | — | EP | disclosed |
| US-20100292244-A1 | HYDROXYLATED PYRIMIDYL CYCLOPENTANE AS AKT PROTEIN KINASE INHIBITOR | ARRAY BIOPHARMA INC. (US) | 2010-11-18 | — | — | US | disclosed |