SCHEMBL22123260

SCHEMBL22123260

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)NCCOCCOC(N)=O)c(Cl)c4)nccn23)cc1F

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.45
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ SYK P43405 5/20 0.41
▸ TTK P33981 3/20 0.38
▸ BRAF P15056 2/20 0.36
▸ LCK P06239 2/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ EGFR P00533 1/20 0.35

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
SCHEMBL22124602 0.94 PTK6 (0.47) PTK6MAPKAPK5SYKTTKBRAF
Hydrochloric Acid SCHEMBL22123324 0.93 PTK6 (0.46) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL22123259 0.90 PTK6 (0.42) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL22124907 0.86 TTK (0.46) PTK6MAPKAPK5SYKTTKBRAF
Hydrochloric Acid SCHEMBL30171711 0.85 TTK (0.45) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL30171795 0.85 PTK6 (0.53) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL22124031 0.85 PTK6 (0.53) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL24940086 0.85 TTK (0.46) PTK6MAPKAPK5SYKTTKBRAF
SCHEMBL22124908 0.84 PTK6 (0.47) PTK6MAPKAPK5SYKTTKLCK
SCHEMBL22123965 0.84 PTK6 (0.55) PTK6MAPKAPK5LCKAURKBEGFR

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 10 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-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
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-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
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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