⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18507169 | 0.70 | LOXL2 (0.30) | — | |
| SCHEMBL20079517 | 0.67 | NPC1 (0.32) | — | |
| SCHEMBL12394807 | 0.61 | SORT1 (0.42) | — | |
| SCHEMBL13534126 | 0.59 | CCNB2 (0.38) | — | |
| SCHEMBL10274589 | 0.57 | — | — | |
| SCHEMBL13481297 | 0.57 | CCNB2 (0.36) | — | |
| SCHEMBL19132977 | 0.57 | CCNB2 (0.32) | — | |
| SCHEMBL12746787 | 0.56 | CCNB2 (0.39) | — | |
| Bromide SCHEMBL6855980 | 0.56 | CHRM2 (0.38) | — | |
| SCHEMBL12417808 | 0.56 | CCNB2 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10004732-B2 | Amino pyrazine derivatives as phosphatidylinositol 3-kinase inhibitors | NOVARTIS AG (CH) | 2018-06-26 | — | — | US | disclosed |
| US-20170042889-A1 | AMINO PYRAZINE DERIVATIVES AS PHOSPHATIDYLINOSITOL 3-KINASE INHIBITORS | NOVARTIS AG (CH) | 2017-02-16 | — | — | US | disclosed |