SCHEMBL22139229

SCHEMBL22139229

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)C6CCN6)CC5)c(C)c4)nccn23)cc1F

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 16/20 0.50
▸ AURKB Q96GD4 6/20 0.46
▸ MAPKAPK5 Q8IW41 1/20 0.44
▸ TTK P33981 3/20 0.43
▸ LCK P06239 5/20 0.42

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
SCHEMBL22124586 1.00 PTK6 (0.50) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22124536 1.00 PTK6 (0.50) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL30177640 1.00 PTK6 (0.50) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22123870 0.97 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL30171842 0.97 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22124445 0.97 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
SCHEMBL22139106 0.97 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
Hydrochloric Acid SCHEMBL25174648 0.96 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
Hydrochloric Acid SCHEMBL30171575 0.96 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK
Hydrochloric Acid SCHEMBL30171912 0.96 PTK6 (0.48) PTK6AURKBMAPKAPK5TTKLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
EP-3898629-B1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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-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
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