SCHEMBL22124243

SCHEMBL22124243

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCN(C(=O)C(N)CC(N)=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 8/20 0.45
▸ MAPKAPK5 Q8IW41 2/20 0.40
▸ TTK P33981 10/20 0.40
▸ AURKB Q96GD4 2/20 0.38
▸ LCK P06239 2/20 0.38

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
SCHEMBL22124241 1.00 PTK6 (0.45) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124082 0.95 PTK6 (0.45) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124086 0.95 PTK6 (0.45) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL30177586 0.94 PTK6 (0.45) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124186 0.93 PTK6 (0.44) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124189 0.93 PTK6 (0.44) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124130 0.93 PTK6 (0.46) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124131 0.93 PTK6 (0.46) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124279 0.93 PTK6 (0.46) PTK6MAPKAPK5TTKAURKBLCK
SCHEMBL22124282 0.93 PTK6 (0.46) PTK6MAPKAPK5TTKAURKBLCK

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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