SCHEMBL22124193

SCHEMBL22124193

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)N1CCC(C(=O)N2CC(O)C(O)C(O)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 12/20 0.45
▸ TTK P33981 7/20 0.41
▸ LCK P06239 5/20 0.39
▸ AURKB Q96GD4 5/20 0.38
▸ MAPKAPK5 Q8IW41 1/20 0.37

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
SCHEMBL22124190 1.00 PTK6 (0.45) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL30177813 1.00 PTK6 (0.45) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22142699 0.95 PTK6 (0.45) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22124341 0.94 PTK6 (0.43) PTK6TTKLCKAURKB
SCHEMBL30171617 0.94 PTK6 (0.43) PTK6TTKLCKAURKB
SCHEMBL22160838 0.94 PTK6 (0.43) PTK6TTKLCKAURKB
SCHEMBL22139085 0.93 PTK6 (0.47) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22123859 0.91 PTK6 (0.46) PTK6TTKLCKAURKBMAPKAPK5
SCHEMBL22123993 0.91 PTK6 (0.44) PTK6TTKLCKAURKB
SCHEMBL22125002 0.91 PTK6 (0.44) 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 2 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 disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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