Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ERN1 | O75460 | 4/20 | 0.49 |
| ▸ | PARP1 | P09874 | 6/20 | 0.47 |
| ▸ | MAP3K14 | Q99558 | 1/20 | 0.47 |
| ▸ | DHODH | Q02127 | 2/20 | 0.46 |
| ▸ | CCNT1 | O60563 | 1/20 | 0.44 |
| ▸ | CCND1 | P24385 | 1/20 | 0.44 |
| ▸ | CCNC | P24863 | 1/20 | 0.44 |
| ▸ | CDK8 | P49336 | 1/20 | 0.44 |
| ▸ | CDK7 | P50613 | 1/20 | 0.44 |
| ▸ | CDK9 | P50750 | 1/20 | 0.44 |
| ▸ | CCNH | P51946 | 1/20 | 0.44 |
| ▸ | MNAT1 | P51948 | 1/20 | 0.44 |
| ▸ | CDK6 | Q00534 | 1/20 | 0.44 |
| ▸ | TDP2 | O95551 | 1/20 | 0.43 |
| ▸ | CSF1R | P07333 | 1/20 | 0.43 |
| ▸ | FLT1 | P17948 | 1/20 | 0.43 |
| ▸ | FLT3 | P36888 | 1/20 | 0.43 |
| ▸ | TTK | P33981 | 1/20 | 0.43 |
| ▸ | MAP2K4 | P45985 | 1/20 | 0.43 |
| ▸ | CA12 | O43570 | 1/20 | 0.42 |
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 | |
|---|---|---|---|---|
| SCHEMBL1568517 | 0.89 | PARP1 (0.53) | PARP1CA12CA1CA2CA9 | |
| SCHEMBL28057767 | 0.88 | MKNK1 (0.49) | ERN1DHODHCA12CA1CA2 | |
| SCHEMBL31422694 | 0.83 | PARP1 (0.64) | ERN1PARP1DHODHCCNT1CCND1 | |
| SCHEMBL2431097 | 0.83 | PARP1 (0.64) | ERN1PARP1DHODHCCNT1CCND1 | |
| SCHEMBL6999225 | 0.81 | DHODH (0.63) | ERN1PARP1DHODHCCNT1CCND1 | |
| SCHEMBL5669446 | 0.79 | DHODH (0.54) | DHODH | |
| SCHEMBL3841296 | 0.79 | CA12 (0.48) | CA12CA1CA2CA9CA14 | |
| Pyridine SCHEMBL27946208 | 0.79 | F7 (0.46) | PARP1CA12CA1CA2CA9 | |
| Pyridine SCHEMBL27928379 | 0.78 | F7 (0.45) | PARP1CA12CA1CA2CA9 | |
| SCHEMBL29788172 | 0.77 | DHODH (0.70) | ERN1PARP1DHODHCSF1RFLT1 |
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 |
|---|---|---|---|---|---|---|---|
| CN-105431436-B | Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors | 内尔维阿诺医学科学有限公司 | 2017-11-28 | — | — | CN | disclosed |
| CN-105431436-A | Pyrrolo [2,3-D ] pyrimidine derivatives, processes for their preparation and their use as kinase inhibitors | NERVIANO MEDICAL SCIENCES SRL | 2016-03-23 | — | — | CN | disclosed |