SCHEMBL22124503

SCHEMBL22124503

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

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 9/20 0.41
▸ TTK P33981 10/20 0.39
▸ LCK P06239 4/20 0.36
▸ AURKB Q96GD4 3/20 0.35
▸ MAPKAPK5 Q8IW41 1/20 0.34

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
SCHEMBL22124502 1.00 PTK6 (0.41) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124111 0.94 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125013 0.91 PTK6 (0.43) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22122834 0.89 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22122835 0.89 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124203 0.88 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124201 0.88 PTK6 (0.42) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22125004 0.86 PTK6 (0.47) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22123995 0.86 PTK6 (0.48) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL25436549 0.85 PTK6 (0.47) PTK6TTKLCKAURKB

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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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