Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | PIK3CA | P42336 | 3/20 | 0.55 |
| ▸ | MTOR | P42345 | 3/20 | 0.55 |
| ▸ | KIT | P10721 | 4/20 | 0.55 |
| ▸ | RIPK1 | Q13546 | 1/20 | 0.53 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.51 |
| ▸ | CCND1 | P24385 | 1/20 | 0.51 |
| ▸ | CCNC | P24863 | 1/20 | 0.51 |
| ▸ | CDK8 | P49336 | 1/20 | 0.51 |
| ▸ | CDK7 | P50613 | 1/20 | 0.51 |
| ▸ | CDK9 | P50750 | 1/20 | 0.51 |
| ▸ | CCNH | P51946 | 1/20 | 0.51 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.51 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.51 |
| ▸ | BRAF | P15056 | 8/20 | 0.48 |
| ▸ | ABL1 | P00519 | 2/20 | 0.44 |
| ▸ | SRC | P12931 | 1/20 | 0.44 |
| ▸ | LCK | P06239 | 1/20 | 0.44 |
| ▸ | KDR | P35968 | 1/20 | 0.44 |
| ▸ | MAPK14 | Q16539 | 1/20 | 0.44 |
| ▸ | TNIK | Q9UKE5 | 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 | |
|---|---|---|---|---|
| SCHEMBL1367425 | 0.90 | KIT (0.56) | PIK3CAMTORKITBRAFABL1 | |
| SCHEMBL4107604 | 0.86 | BRAF (0.61) | PIK3CAMTORKITRIPK1CCNT1 | |
| SCHEMBL1367703 | 0.86 | PIK3CA (0.60) | PIK3CAMTORKITBRAFABL1 | |
| SCHEMBL1367427 | 0.85 | KIT (0.56) | PIK3CAMTORKITCDK8BRAF | |
| SCHEMBL1370776 | 0.84 | RIPK1 (0.65) | PIK3CAMTORKITRIPK1CCNT1 | |
| SCHEMBL1367204 | 0.84 | KIT (0.50) | PIK3CAMTORKITCDK8BRAF | |
| SCHEMBL17420246 | 0.82 | NPC1 (0.55) | PIK3CAMTORKITBRAFLCK | |
| SCHEMBL3993077 | 0.82 | SMN1; SMN2 (0.48) | KITBRAFABL1SRCLCK | |
| SCHEMBL4503280 | 0.81 | P4HTM (0.52) | PIK3CAMTORKITBRAFABL1 | |
| SCHEMBL4113859 | 0.81 | KIT (0.56) | PIK3CAMTORKITBRAFABL1 |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2064213-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2009-06-03 | — | — | EP | claimed |
| WO-2008028617-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-13 | — | — | WO | claimed |
| EP-2064213-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. Hoffmann-La Roche AG (CH) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008028617-A1 | HETEROARYL DERIVATIVES AS PROTEIN KINASE INHIBITORS | F. HOFFMANN-LA ROCHE AG (CH) | 2008-03-13 | — | — | WO | disclosed |