SCHEMBL22123265

SCHEMBL22123265

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)O)c(CC(F)F)c4)nccn23)c(F)c1F

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 3/20 0.39
▸ PDE4B Q07343 3/20 0.36
▸ PDE4D Q08499 3/20 0.36
▸ TTK P33981 4/20 0.36
▸ SYK P43405 7/20 0.36
▸ MAPKAPK5 Q8IW41 1/20 0.35
▸ DHODH Q02127 1/20 0.35
▸ AURKB Q96GD4 1/20 0.34
▸ CTSV O60911 1/20 0.33
▸ CTSL P07711 1/20 0.33

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
SCHEMBL22123485 0.94 PTK6 (0.39) PTK6PDE4BPDE4DTTKSYK
SCHEMBL22123142 0.92 PTK6 (0.39) PTK6PDE4BPDE4DTTKSYK
SCHEMBL30168175 0.92 PTK6 (0.39) PTK6PDE4BPDE4DTTKSYK
Hydrochloric Acid SCHEMBL30386239 0.91 PTK6 (0.39) PTK6PDE4BPDE4DTTKSYK
Hydrochloric Acid SCHEMBL22124453 0.91 PTK6 (0.39) PTK6PDE4BPDE4DTTKSYK
SCHEMBL22123585 0.90 PTK6 (0.38) PTK6PDE4BPDE4DTTKSYK
SCHEMBL30385532 0.89 PTK6 (0.37) PTK6PDE4BPDE4DTTKSYK
SCHEMBL30171814 0.88 TTK (0.36) PTK6PDE4BPDE4DTTKSYK
SCHEMBL22122850 0.88 TTK (0.36) PTK6PDE4BPDE4DTTKSYK
SCHEMBL25170422 0.87 SYK (0.41) PTK6TTKSYKMAPKAPK5DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-B1 NOVEL 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-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-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-2020126952-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-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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