⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5727573 | 0.84 | PIK3CD (0.43) | — | |
| SCHEMBL5727576 | 0.84 | PIK3CD (0.43) | — | |
| SCHEMBL5726650 | 0.76 | TP53 (0.48) | — | |
| SCHEMBL5726333 | 0.76 | MAPT (0.41) | — | |
| SCHEMBL4462500 | 0.76 | KDM4E (0.45) | — | |
| SCHEMBL5726244 | 0.75 | PIK3CD (0.36) | — | |
| SCHEMBL9390272 | 0.73 | PIK3CD (0.43) | — | |
| SCHEMBL380792 | 0.73 | DHFR (0.67) | — | |
| SCHEMBL2719810 | 0.72 | KDM4E (0.50) | — | |
| SCHEMBL9539329 | 0.72 | PIK3CD (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104203939-A | Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors | ABBVIE INC | 2014-12-10 | — | — | CN | claimed |
| CN-104203939-A | Diaminopyrimidines as human Respiratory Syncytial Virus (RSV) inhibitors | ABBVIE INC | 2014-12-10 | — | — | CN | disclosed |
| US-7550473-B2 | Pyrimidine derivatives useful as inhibitors of PKC-theta | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2009-06-23 | — | — | US | disclosed |
| US-20050124640-A1 | Pyrimidine derivatives useful as inhibitors of PKC-theta | BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) | 2005-06-09 | — | — | US | disclosed |