⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13907283 | 0.82 | GRM5 (0.70) | — | |
| SCHEMBL13907290 | 0.74 | GRM5 (0.77) | — | |
| SCHEMBL20409262 | 0.74 | GRM5 (0.35) | — | |
| SCHEMBL11384 | 0.72 | — | — | |
| SCHEMBL6469089 | 0.72 | CYP2A6 (0.59) | — | |
| SCHEMBL4033948 | 0.70 | — | — | |
| SCHEMBL4860070 | 0.69 | GRM5 (1.00) | — | |
| SCHEMBL17936301 | 0.69 | GRM5 (0.48) | — | |
| SCHEMBL17050214 | 0.67 | GRM5 (0.48) | — | |
| Propyne SCHEMBL250724 | 0.67 | GRM5 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2018136202-A2 | COMPOUNDS AND METHODS FOR CDK8 MODULATION AND INDICATIONS THEREFOR | PLEXXIKON INC. (US) | 2018-07-26 | — | — | WO | disclosed |
| CN-101198602-A | Saminopyrimidine derivates with tIE2 inhibiting activity | ASTRAZENECA AB (SE) | 2008-06-11 | — | — | CN | disclosed |
| CN-101137652-A | Pyrimidine compounds having tie2 (tek) inhibitory activity | ASTRAZENECA AB (SE) | 2008-03-05 | — | — | CN | disclosed |