Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KMT2A | Q03164 | 2/20 | 0.48 |
| ▸ | MEN1 | O00255 | 1/20 | 0.48 |
| ▸ | ITGA2B | P08514 | 4/20 | 0.46 |
| ▸ | ITGB3 | P05106 | 3/20 | 0.46 |
| ▸ | AURKA | O14965 | 2/20 | 0.45 |
| ▸ | AURKB | Q96GD4 | 2/20 | 0.45 |
| ▸ | CHEK1 | O14757 | 1/20 | 0.43 |
| ▸ | DAPK3 | O43293 | 1/20 | 0.43 |
| ▸ | JAK2 | O60674 | 1/20 | 0.43 |
| ▸ | PRKD3 | O94806 | 1/20 | 0.43 |
| ▸ | PAK4 | O96013 | 1/20 | 0.43 |
| ▸ | ABL1 | P00519 | 1/20 | 0.43 |
| ▸ | NTRK1 | P04629 | 1/20 | 0.43 |
| ▸ | LCK | P06239 | 1/20 | 0.43 |
| ▸ | FYN | P06241 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | RET | P07949 | 1/20 | 0.43 |
| ▸ | IGF1R | P08069 | 1/20 | 0.43 |
| ▸ | MET | P08581 | 1/20 | 0.43 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.43 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| SCHEMBL12806188 | 0.89 | NPC1 (0.51) | KMT2AMEN1AURKAAURKBABL1 | |
| SCHEMBL12805461 | 0.89 | SIRT2 (0.39) | KMT2AMEN1ITGA2BITGB3AURKA | |
| SCHEMBL18977905 | 0.87 | KMT2A (0.46) | KMT2AMEN1ITGA2BITGB3AURKA | |
| SCHEMBL12806382 | 0.85 | TDP1 (0.41) | KMT2AMEN1JAK3SIRT2POLB | |
| SCHEMBL12805725 | 0.77 | AURKB (0.44) | ITGA2BITGB3AURKAAURKBCHEK1 | |
| SCHEMBL1275994 | 0.77 | NPC1 (0.48) | KMT2AMEN1AURKAAURKBABL1 | |
| SCHEMBL18060670 | 0.76 | KCNQ3 (0.47) | KMT2AMEN1RAB9APOLBNPC1 | |
| SCHEMBL12806384 | 0.75 | CTSB (0.40) | KMT2AJAK3BTKHTR1A | |
| SCHEMBL28089438 | 0.74 | ITGB3 (0.55) | KMT2AMEN1ITGA2BITGB3AURKA | |
| SCHEMBL12806115 | 0.74 | MAPT (0.43) | KMT2AMEN1CDK9RAB9ANPC1 |
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 |
|---|---|---|---|---|---|---|---|
| EP-3205647-B1 | 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | MEMORIAL SLOAN KETTERING CANCER CENTER (US) | 2020-05-13 | — | — | EP | disclosed |
| EP-3205647-A2 | 2-(PYRIMIDIN-5-YL)-THIOPYRIMIDINE DERIVATIVES AS HSP70 AND HSC70 MODULATORS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | Memorial Sloan-Kettering Cancer Center (US) | 2017-08-16 | — | — | EP | disclosed |
| EP-2467142-B1 | 2-(Pyrimidin-5-yl)-thiopyrimidine derivatives as Hsp70 and Hsc70 modulators for the treatment of proliferative disorders | SLOAN KETTERING INST CANCER (US) | 2016-09-21 | — | — | EP | disclosed |