SCHEMBL22122835

SCHEMBL22122835

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)NCC(O)C(O)C(O)C(O)CO)CC1

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 7/20 0.42
▸ TTK P33981 12/20 0.41
▸ LCK P06239 3/20 0.37
▸ AURKB Q96GD4 2/20 0.36
▸ MAPKAPK5 Q8IW41 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
SCHEMBL22122834 1.00 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124221 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124520 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124219 0.91 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125004 0.90 PTK6 (0.47) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124502 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124503 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125041 0.89 PTK6 (0.44) PTK6TTKLCKAURKBMAPKAPK5
Formic Acid SCHEMBL30177714 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
Formic Acid SCHEMBL30177748 0.89 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5

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 4 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 claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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