⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31333018 | 0.72 | CYP1A2 (0.32) | — | |
| SCHEMBL12290763 | 0.69 | — | — | |
| SCHEMBL31332870 | 0.68 | ATM (0.32) | — | |
| SCHEMBL31625164 | 0.67 | CDK1 (0.37) | — | |
| SCHEMBL6492879 | 0.67 | CDK1 (0.60) | — | |
| SCHEMBL3300011 | 0.67 | TP53 (0.34) | — | |
| SCHEMBL5387153 | 0.67 | — | — | |
| SCHEMBL926257 | 0.66 | APOBEC3A (0.38) | — | |
| SCHEMBL9601998 | 0.65 | PCSK9 (0.31) | — | |
| SCHEMBL21719978 | 0.64 | KDM4E (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004069256-A1 | 2-CYANOPYRROLOPYRIMIDINES AND PHARMACEUTICAL USES THEREOF | NOVARTIS AG (CH) | 2004-08-19 | — | — | WO | disclosed |