Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | CDK2 | P24941 | 3/20 | 0.72 |
| ▸ | GRM4 | Q14833 | 1/20 | 0.50 |
| ▸ | KMT2A | Q03164 | 2/20 | 0.45 |
| ▸ | RAD52 | P43351 | 1/20 | 0.45 |
| ▸ | CSF1R | P07333 | 1/20 | 0.44 |
| ▸ | NPC1 | O15118 | 2/20 | 0.43 |
| ▸ | BRAF | P15056 | 2/20 | 0.43 |
| ▸ | RAB9A | P51151 | 2/20 | 0.43 |
| ▸ | L3MBTL1 | Q9Y468 | 1/20 | 0.43 |
| ▸ | INSR | P06213 | 1/20 | 0.42 |
| ▸ | KDR | P35968 | 1/20 | 0.42 |
| ▸ | GSK3A | P49840 | 1/20 | 0.42 |
| ▸ | GSK3B | P49841 | 1/20 | 0.42 |
| ▸ | CYP19A1 | P11511 | 1/20 | 0.41 |
| ▸ | ADRA2A | P08913 | 1/20 | 0.41 |
| ▸ | ADRA2B | P18089 | 1/20 | 0.41 |
| ▸ | ADRA2C | P18825 | 1/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 2/20 | 0.41 |
| ▸ | MAPT | P10636 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| SCHEMBL1678613 | 0.84 | CDK2 (1.00) | CDK2GRM4KMT2ACSF1RBRAF | |
| SCHEMBL1121971 | 0.78 | CDK2 (0.70) | CDK2BRAFINSRKDRGSK3A | |
| SCHEMBL2885798 | 0.77 | CDK2 (0.73) | CDK2GRM4NPC1BRAFRAB9A | |
| SCHEMBL22655182 | 0.76 | ALDH1A1 (0.66) | CDK2KMT2ARAD52NPC1RAB9A | |
| SCHEMBL6662179 | 0.76 | CDK2 (0.66) | CDK2KMT2ARAD52BRAFKDR | |
| SCHEMBL1368828 | 0.74 | KIF11 (0.60) | KMT2ARAD52NPC1RAB9AL3MBTL1 | |
| SCHEMBL29793056 | 0.74 | KIF11 (0.60) | KMT2ARAD52NPC1RAB9AL3MBTL1 | |
| SCHEMBL18725641 | 0.74 | TSHR (0.46) | KMT2ARAD52NPC1RAB9AL3MBTL1 | |
| SCHEMBL29826892 | 0.74 | TSHR (0.46) | KMT2ARAD52NPC1RAB9AL3MBTL1 | |
| SCHEMBL6302354 | 0.74 | CDK2 (0.69) | CDK2GRM4KMT2ANPC1BRAF |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004004730-A2 | 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTEX TECHNOLOGY LIMITED (GB) | 2004-01-15 | — | — | WO | claimed |
| WO-2004004730-A2 | 2-AMINOPYRAZINE DERIVATIVES AS INHIBITORS OF CYCLIN DEPENDENT KINASES FOR THE TREATMENT OF PROLIFERATIVE DISORDERS | ASTEX TECHNOLOGY LIMITED (GB) | 2004-01-15 | — | — | WO | disclosed |