⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28798379 | 0.82 | DRD2 (0.42) | — | |
| SCHEMBL30403347 | 0.82 | SLC6A3 (0.43) | — | |
| SCHEMBL24001944 | 0.82 | SLC6A3 (0.43) | — | |
| SCHEMBL446318 | 0.82 | — | — | |
| SCHEMBL28446716 | 0.81 | — | — | |
| SCHEMBL16970804 | 0.78 | TLR9 (0.41) | — | |
| SCHEMBL446316 | 0.78 | — | — | |
| SCHEMBL18115238 | 0.77 | SLC6A3 (0.46) | — | |
| SCHEMBL9770851 | 0.77 | DRD2 (0.50) | — | |
| SCHEMBL31116757 | 0.77 | DRD2 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-101010318-A | 2,4, 6-trisubstituted pyrimidines as Phosphatidylinositol (PI) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |
| CN-101010317-A | 2, 4,6-trisubstituted pyrimidines as phosphotidylinositol (pi) 3-kinase inhibitors and their use in the treatment of cancer | ASTRAZENECA AB (SE) | 2007-08-01 | — | — | CN | disclosed |