⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15041182 | 0.94 | — | — | |
| SCHEMBL15035032 | 0.81 | — | — | |
| SCHEMBL15036494 | 0.77 | JAK2 (0.42) | — | |
| SCHEMBL15034924 | 0.76 | — | — | |
| SCHEMBL15036220 | 0.75 | — | — | |
| SCHEMBL15034855 | 0.75 | CDK4 (0.37) | — | |
| SCHEMBL15041255 | 0.75 | — | — | |
| SCHEMBL15041899 | 0.74 | PTK2 (0.53) | — | |
| SCHEMBL15035893 | 0.73 | PTK2 (0.41) | — | |
| SCHEMBL15035681 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20130231348-A1 | 8-(HETEROARYLMETHYL)PYRIDO[2,3-d]PYRIMIDIN-7(8H)-ONES FOR THE TREATMENT OF CNS DISORDERS | AFRAXIS, INC. (US) | 2013-09-05 | — | — | US | disclosed |
| US-20130158043-A1 | PAK INHIBITORS FOR THE TREATMENT OF CANCER | AFRAXIS, INC. (US) | 2013-06-20 | — | — | US | disclosed |