Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | KDR | P35968 | 1/20 | 0.51 |
| ▸ | CHEK1 | O14757 | 15/20 | 0.51 |
| ▸ | NPC1 | O15118 | 1/20 | 0.48 |
| ▸ | TP53 | P04637 | 1/20 | 0.48 |
| ▸ | NFKB1 | P19838 | 1/20 | 0.48 |
| ▸ | RAB9A | P51151 | 1/20 | 0.48 |
| ▸ | NFKB2 | Q00653 | 1/20 | 0.48 |
| ▸ | RELA | Q04206 | 1/20 | 0.48 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.48 |
| ▸ | SGK1 | O00141 | 2/20 | 0.47 |
| ▸ | AKT1 | P31749 | 2/20 | 0.47 |
| ▸ | AKT2 | P31751 | 2/20 | 0.47 |
| ▸ | AKT3 | Q9Y243 | 2/20 | 0.47 |
| ▸ | AURKA | O14965 | 1/20 | 0.47 |
| ▸ | CSNK2A2 | P19784 | 1/20 | 0.47 |
| ▸ | CSNK2B | P67870 | 1/20 | 0.47 |
| ▸ | CSNK2A1 | P68400 | 1/20 | 0.47 |
| ▸ | PDGFRB | P09619 | 1/20 | 0.47 |
| ▸ | MELK | Q14680 | 1/20 | 0.47 |
| ▸ | CHEK2 | O96017 | 1/20 | 0.47 |
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 | |
|---|---|---|---|---|
| SCHEMBL7092465 | 0.93 | KDR (0.56) | KDRCHEK1NPC1TP53NFKB1 | |
| SCHEMBL7704064 | 0.92 | KDR (0.51) | KDRCHEK1NPC1RAB9ASGK1 | |
| SCHEMBL7088877 | 0.90 | NPC1 (0.52) | KDRCHEK1NPC1NFKB1RAB9A | |
| SCHEMBL7696243 | 0.88 | CHEK1 (0.57) | KDRCHEK1NPC1TP53RAB9A | |
| SCHEMBL7701201 | 0.87 | CYP1A2 (0.49) | KDRCHEK1NPC1TP53NFKB1 | |
| SCHEMBL7095790 | 0.87 | ALDH1A1 (0.49) | KDRCHEK1PDGFRB | |
| SCHEMBL7167280 | 0.87 | MEN1 (0.48) | KDRCHEK1NPC1RAB9ASGK1 | |
| SCHEMBL6998221 | 0.86 | NPC1 (0.52) | KDRCHEK1NPC1TP53NFKB1 | |
| SCHEMBL7094478 | 0.83 | CHEK1 (0.49) | KDRCHEK1NPC1TP53NFKB1 | |
| SCHEMBL6996407 | 0.83 | CHEK1 (0.59) | KDRCHEK1PDGFRB |
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 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | claimed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | claimed |
| EP-1289525-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | Abbott GmbH & Co. KG (DE) | 2003-03-12 | — | — | EP | disclosed |
| US-6462036-B1 | INHIBITING SIGNAL TRANSDUCTION BY MODULATING ACTIVITY OF RECEPTOR AND NONRECEPTOR TYROSINE AND SERINE/THREONINE KINASES TO REGULATE AND MODULATE ABNORMAL OR INAPPROPRIATE CELL PROLIFERATION, DIFFERENTIATION, OR METABOLISM | BASF AKTIENGESELLSCHAFT (DE) | 2002-10-08 | — | — | US | disclosed |
| WO-2001087846-A2 | TRICYCLIC PYRAZOLE DERIVATIVES AS PROTEIN KINASE INHIBITORS | ABBOTT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG & COMPANY KOMMANDITGESELLSCHAFT (DE) | 2001-11-22 | — | — | WO | disclosed |
| EP-1127051-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2001-08-29 | — | — | EP | disclosed |
| WO-2000027822-A2 | TRICYCLIC PYRAZOLE DERIVATIVES | BASF AKTIENGESELLSCHAFT (DE) | 2000-05-18 | — | — | WO | disclosed |