Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | MAP2K1 | Q02750 | 2/20 | 0.51 |
| ▸ | CAMKK2 | Q96RR4 | 2/20 | 0.47 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.45 |
| ▸ | AXL | P30530 | 1/20 | 0.45 |
| ▸ | GPR84 | Q9NQS5 | 1/20 | 0.44 |
| ▸ | ADORA2A | P29274 | 1/20 | 0.43 |
| ▸ | MTNR1A | P48039 | 1/20 | 0.43 |
| ▸ | LRRK2 | Q5S007 | 2/20 | 0.42 |
| ▸ | MET | P08581 | 2/20 | 0.40 |
| ▸ | BRD4 | O60885 | 1/20 | 0.40 |
| ▸ | CDK9 | P50750 | 4/20 | 0.40 |
| ▸ | CDK5 | Q00535 | 4/20 | 0.40 |
| ▸ | CDC7 | O00311 | 4/20 | 0.40 |
| ▸ | CDK2 | P24941 | 2/20 | 0.40 |
| ▸ | CNR2 | P34972 | 1/20 | 0.40 |
| ▸ | TGFBR1 | P36897 | 1/20 | 0.40 |
| ▸ | PDPK1 | O15530 | 1/20 | 0.40 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.40 |
| ▸ | CCNA2 | P20248 | 1/20 | 0.40 |
| ▸ | CCNA1 | P78396 | 1/20 | 0.40 |
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 | |
|---|---|---|---|---|
| SCHEMBL1558087 | 0.83 | MAP2K1 (0.55) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL6225557 | 0.82 | MAP2K1 (0.54) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL2511843 | 0.82 | SLC22A6 (0.58) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL30563475 | 0.78 | MAP2K1 (0.54) | MAP2K1CAMKK2KMT2AAXLADORA2A | |
| SCHEMBL30684499 | 0.78 | MAP2K1 (0.54) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL38663434 | 0.78 | MAP2K1 (0.50) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL27583281 | 0.77 | MAP2K1 (0.49) | MAP2K1CAMKK2KMT2AAXLGPR84 | |
| SCHEMBL27853901 | 0.77 | SLC22A6 (0.64) | KMT2AGPR84 | |
| SCHEMBL9275414 | 0.74 | AURKA (0.43) | MAP2K1CAMKK2AXLMTNR1ALRRK2 | |
| SCHEMBL30713632 | 0.74 | MAP2K1 (0.49) | MAP2K1CAMKK2KMT2AAXLGPR84 |
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-2646438-A1 | 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS | Merck Patent GmbH (DE) | 2013-10-09 | — | — | EP | disclosed |
| WO-2012072200-A1 | 3-HETARYL-SUBSTITUTED PYRROLO[2,3-B]PYRIDINE DERIVATIVES AS PDK1 INHIBITORS | MERCK PATENT GMBH (DE) | 2012-06-07 | — | — | WO | disclosed |
| EP-2303879-A1 | 7-AZAINDOLE DERIVATIVES | Merck Patent GmbH (DE) | 2011-04-06 | — | — | EP | disclosed |
| WO-2010020308-A1 | 7-AZAINDOLE DERIVATIVES | MERCK PATENT GMBH (DE) | 2010-02-25 | — | — | WO | disclosed |