⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15035944 | 0.80 | KMT2A (0.31) | — | |
| SCHEMBL15041846 | 0.76 | CYP2A6 (0.35) | — | |
| SCHEMBL17790320 | 0.73 | UHRF1 (0.33) | — | |
| SCHEMBL7951929 | 0.71 | NOS3 (0.48) | — | |
| SCHEMBL16511825 | 0.70 | NOS3 (0.32) | — | |
| SCHEMBL6124195 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL19788317 | 0.68 | CYP3A4 (0.34) | — | |
| SCHEMBL22725617 | 0.68 | NOS3 (0.37) | — | |
| SCHEMBL2738316 | 0.68 | AGBL2 (0.42) | — | |
| SCHEMBL20390069 | 0.68 | S1PR3 (0.51) | — |
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 |