⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15041837 | 0.78 | NOS3 (0.32) | — | |
| SCHEMBL15035959 | 0.71 | CHRNA7 (0.31) | — | |
| SCHEMBL14608800 | 0.70 | — | — | |
| SCHEMBL2609311 | 0.70 | P2RX3 (0.36) | — | |
| SCHEMBL15035945 | 0.69 | TRPA1 (0.31) | — | |
| SCHEMBL2737354 | 0.69 | APLNR (0.35) | — | |
| SCHEMBL12239051 | 0.68 | CCR1 (0.35) | — | |
| SCHEMBL2611029 | 0.67 | P2RX3 (0.45) | — | |
| SCHEMBL15035949 | 0.65 | — | — | |
| SCHEMBL10094583 | 0.65 | CHRNA7 (0.35) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8912203-B2 | 6-(sulfonylaryl)pyrido[2,3-D]pyrimidin-7(8H)-ones for the treatment of CNS disorders | AFRAXIS HOLDINGS, INC. (US) | 2014-12-16 | — | — | US | disclosed |
| US-20130252966-A1 | 6-(SULFONYLARYL)PYRIDO[2,3-D]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS | AFRAXIS, INC. (US) | 2013-09-26 | — | — | US | disclosed |
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |