SCHEMBL22123133

SCHEMBL22123133

CC(C)(C)OC(=O)C1CCN(CCN2CCN(C(=O)c3ccc(Nc4nccn5c(-c6ccc(OCC#N)c(F)c6F)cnc45)cc3Cl)CC2)C1

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 20/20 0.43
▸ LCK P06239 10/20 0.40
▸ AURKB Q96GD4 7/20 0.36

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
SCHEMBL30183576 1.00 PTK6 (0.43) PTK6LCKAURKB
SCHEMBL22124614 0.92 PTK6 (0.46) PTK6LCKAURKB
SCHEMBL22123479 0.92 PTK6 (0.43) PTK6LCKAURKB
SCHEMBL22125425 0.92 PTK6 (0.46) PTK6LCKAURKB
Trifluoroacetic Acid SCHEMBL22123795 0.91 PTK6 (0.44) PTK6LCKAURKB
SCHEMBL22142838 0.90 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22125288 0.90 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22125502 0.89 PTK6 (0.45) PTK6LCKAURKB
SCHEMBL22125194 0.89 PTK6 (0.47) PTK6LCKAURKB
SCHEMBL22125293 0.89 PTK6 (0.47) 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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — 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
CN-113226469-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-08-06 — — CN disclosed
CN-113195496-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195498-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113195497-A Novel imidazopyrazine derivatives 豪夫迈·罗氏有限公司 2021-07-30 — — CN disclosed
CN-113164771-A Imidazopyrazine derivatives as antibacterial agents 豪夫迈·罗氏有限公司 2021-07-23 — — CN disclosed
WO-2020126953-A1 NOVEL 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-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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