⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4630887 | 0.79 | GSK3A (0.53) | — | |
| Hydrochloric Acid SCHEMBL7857018 | 0.77 | GSK3A (0.51) | — | |
| SCHEMBL27986259 | 0.75 | — | — | |
| SCHEMBL7854417 | 0.75 | — | — | |
| SCHEMBL27708097 | 0.75 | — | — | |
| SCHEMBL29608372 | 0.75 | — | — | |
| SCHEMBL30488472 | 0.75 | — | — | |
| SCHEMBL2086404 | 0.75 | — | — | |
| SCHEMBL26698946 | 0.75 | — | — | |
| SCHEMBL84648 | 0.75 | — | — |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101535276-B | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC | 2013-08-28 | — | — | CN | claimed |
| CN-104844578-A | 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS | NEUROGEN CORP | 2015-08-19 | — | — | CN | disclosed |
| CN-104540385-A | Pyrimidinyl tyrosine kinase inhibitors | BIOGEN IDEC INC | 2015-04-22 | — | — | CN | disclosed |
| CN-101711245-B | 5-membered heterocyclic amides and related compounds | LUNDBECK & CO AS H | 2015-03-25 | — | — | CN | disclosed |
| CN-101535276-B | 2, 4-diaminopyrimidine fused bicyclic derivatives as ALK and c-MET inhibitors | CEPHALON INC | 2013-08-28 | — | — | CN | disclosed |
| US-8093246-B2 | potent deoxycytidine kinase inhibitors; O-linked pyrimidin-4-amine-based compounds | LEXICON PHARMACEUTICALS, INC. (US) | 2012-01-10 | — | — | US | disclosed |
| US-20080146571-A1 | O-LINKED PYRIMIDIN-4-AMINE-BASED COMPOUNDS, COMPOSITIONS COMPRISING THEM, AND METHODS OF THEIR USE TO TREAT CANCER | OXFORD FINANCE LLC, AS COLLATERAL AGENT | 2008-06-19 | — | — | US | disclosed |