⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2913033 | 0.83 | HDAC3 (0.46) | — | |
| SCHEMBL16046411 | 0.83 | TSHR (0.47) | — | |
| SCHEMBL29256399 | 0.81 | HDAC3 (0.49) | — | |
| SCHEMBL7635811 | 0.81 | HDAC3 (0.49) | — | |
| SCHEMBL496400 | 0.78 | — | — | |
| SCHEMBL992042 | 0.76 | — | — | |
| SCHEMBL18673575 | 0.76 | — | — | |
| SCHEMBL2085613 | 0.75 | FAAH (0.47) | — | |
| SCHEMBL11162673 | 0.75 | — | — | |
| SCHEMBL10151378 | 0.74 | — | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101501035-B | Pyrimidine derivatives as PI3K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD | 2013-01-23 | — | — | CN | disclosed |
| CN-101501035-A | Pyrimidine derivatives as P13K inhibitors and uses thereof | CHUGAI PHARMACEUTICAL CO LTD (JP) | 2009-08-05 | — | — | CN | disclosed |
| US-20080176857-A1 | 4-Piperazinnylthieno[2,3-d]Pyrimidine Compounds as Platelet Aggregation Inhibitors | PFIZER INC. | 2008-07-24 | — | — | US | disclosed |
| EP-1874780-A1 | 4-PIPERAZINYLTHIENO[2,3-D]PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | Pharmacia & Upjohn Company LLC (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006100591-A1 | 4-PIPERAZINNYLTHIENO [2,3-D] PYRIMIDINE COMPOUNDS AS PLATELET AGGREGATION INHIBITORS | PHARMACIA & UPJOHN COMPANY LLC (US) | 2006-09-28 | — | — | WO | disclosed |