SCHEMBL22123770

SCHEMBL22123770

N#CCOc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(C(=O)N6CCNC(C(=O)O)C6)CC5)c(Cl)c4)nccn23)c(F)c1F

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.49
▸ LCK P06239 9/20 0.40
▸ AURKB Q96GD4 7/20 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.

Compoundsimilaritytop predictedshared targets
SCHEMBL22123767 1.00 PTK6 (0.49) PTK6LCKAURKB
SCHEMBL22123914 1.00 PTK6 (0.49) PTK6LCKAURKB
SCHEMBL24916539 0.93 PTK6 (0.41) PTK6LCKAURKB
SCHEMBL24916537 0.93 PTK6 (0.41) PTK6LCKAURKB
SCHEMBL22125203 0.93 PTK6 (0.51) PTK6LCKAURKB
SCHEMBL22125164 0.93 PTK6 (0.51) PTK6LCKAURKB
SCHEMBL30202044 0.93 PTK6 (0.51) PTK6LCKAURKB
SCHEMBL24977845 0.93 PTK6 (0.51) PTK6LCKAURKB
SCHEMBL25013121 0.93 PTK6 (0.52) PTK6LCKAURKB
SCHEMBL30183901 0.92 PTK6 (0.58) PTK6LCKAURKB

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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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