Predicted protein targets (top 17)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | NEK2 | P51955 | 2/20 | 0.53 |
| ▸ | MAP2K1 | Q02750 | 1/20 | 0.51 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.47 |
| ▸ | CNR2 | P34972 | 1/20 | 0.46 |
| ▸ | KDR | P35968 | 1/20 | 0.43 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.41 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.41 |
| ▸ | CDC7 | O00311 | 1/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.40 |
| ▸ | BRAF | P15056 | 1/20 | 0.39 |
| ▸ | CCNE1 | P24864 | 3/20 | 0.39 |
| ▸ | CDK2 | P24941 | 3/20 | 0.39 |
| ▸ | AXL | P30530 | 1/20 | 0.39 |
| ▸ | PKM | P14618 | 1/20 | 0.39 |
| ▸ | COMT | P21964 | 1/20 | 0.39 |
| ▸ | ROCK1 | Q13464 | 1/20 | 0.39 |
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 | |
|---|---|---|---|---|
| SCHEMBL856986 | 0.82 | NEK2 (0.60) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL12772764 | 0.81 | MAP2K1 (0.58) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL857000 | 0.81 | NEK2 (0.58) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL24011615 | 0.80 | MAP2K1 (0.53) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL3709076 | 0.80 | NEK2 (0.63) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL878704 | 0.80 | MAP2K1 (0.53) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL27708260 | 0.79 | MAP2K1 (0.71) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL878719 | 0.78 | MAP2K1 (0.61) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL15600583 | 0.78 | BRAF (0.49) | NEK2MAP2K1CAMKK2CNR2KDR | |
| SCHEMBL857593 | 0.78 | MAP2K1 (0.55) | NEK2MAP2K1CAMKK2CNR2KDR |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007002433-A1 | PYRROLO [2, 3-B] PYRIDINE DERIVATIVES AS PROTEIN KINASE INHIBITORS | PLEXXIKON, INC. (US) | 2007-01-04 | — | — | WO | disclosed |