Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.48 |
| ▸ | MTOR | P42345 | 3/20 | 0.48 |
| ▸ | CDK8 | P49336 | 3/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.46 |
| ▸ | CCND1 | P24385 | 1/20 | 0.46 |
| ▸ | CCNC | P24863 | 1/20 | 0.46 |
| ▸ | CDK7 | P50613 | 1/20 | 0.46 |
| ▸ | CDK9 | P50750 | 1/20 | 0.46 |
| ▸ | CCNH | P51946 | 1/20 | 0.46 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.46 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.46 |
| ▸ | BRAF | P15056 | 5/20 | 0.43 |
| ▸ | PARP1 | P09874 | 1/20 | 0.41 |
| ▸ | BRD4 | O60885 | 2/20 | 0.41 |
| ▸ | CREBBP | Q92793 | 2/20 | 0.41 |
| ▸ | KDM4E | B2RXH2 | 2/20 | 0.41 |
| ▸ | NPC1 | O15118 | 2/20 | 0.41 |
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.41 |
| ▸ | RAB9A | P51151 | 2/20 | 0.41 |
| ▸ | MAPK1 | P28482 | 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 | |
|---|---|---|---|---|
| SCHEMBL1368093 | 0.81 | CDK8 (0.49) | CDK8CCNT1CCND1CCNCCDK7 | |
| SCHEMBL1367307 | 0.78 | KIT (0.50) | PIK3CAMTORCDK8CCNT1CCND1 | |
| SCHEMBL4107721 | 0.78 | BLK (0.47) | PIK3CAMTORCDK8BRAFBRD4 | |
| Hydrochloric Acid SCHEMBL1365279 | 0.78 | KIT (0.49) | PIK3CAMTORCDK8CCNT1CCND1 | |
| SCHEMBL1368105 | 0.77 | TBK1 (0.51) | PIK3CAMTORCDK8CCNT1CCND1 | |
| Hydrochloric Acid SCHEMBL1367293 | 0.77 | BRAF (0.57) | PIK3CAMTORCDK8CCNT1CCND1 | |
| Hydrochloric Acid SCHEMBL1365702 | 0.77 | TBK1 (0.50) | PIK3CAMTORCDK8CCNT1CCND1 | |
| SCHEMBL1367961 | 0.76 | PIK3CA (0.47) | PIK3CAMTORBRAFKITTNIK | |
| SCHEMBL1365527 | 0.74 | TNIK (0.49) | PIK3CAMTORCDK8CCNT1CCND1 | |
| Hydrochloric Acid SCHEMBL1369411 | 0.74 | TNIK (0.49) | PIK3CAMTORCDK8CCNT1CCND1 |
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 |
|---|---|---|---|---|---|---|---|
| US-8067599-B2 | Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors | HOFFMAN-LA ROCHE INC. (US) | 2011-11-29 | — | — | US | claimed |
| US-8067599-B2 | Imidazo [4,5-B] pyridine and pyrrolo [2,3-B] pyridine protein kinase inhibitors | HOFFMAN-LA ROCHE INC. (US) | 2011-11-29 | — | — | US | disclosed |