SCHEMBL22123985

SCHEMBL22123985

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCC(N(C)CCC(=O)O)CC5)c(C)c4)nccn23)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 9/20 0.46
▸ TTK P33981 9/20 0.43
▸ LCK P06239 3/20 0.41
▸ AURKB Q96GD4 3/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ SMO Q99835 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
SCHEMBL22124280 0.94 PTK6 (0.46) PTK6TTKLCKAURKBALDH1A1
SCHEMBL22124015 0.91 PTK6 (0.44) PTK6TTKLCKAURKBALDH1A1
SCHEMBL30177674 0.88 PTK6 (0.47) PTK6TTKLCKAURKB
SCHEMBL22123990 0.88 PTK6 (0.47) PTK6TTKLCKAURKB
SCHEMBL22123986 0.88 PTK6 (0.46) PTK6TTKLCKAURKB
SCHEMBL22124213 0.88 PTK6 (0.47) PTK6TTKLCKAURKBALDH1A1
SCHEMBL22124013 0.87 PTK6 (0.52) PTK6TTKLCKAURKBALDH1A1
SCHEMBL22123944 0.87 PTK6 (0.44) PTK6TTKLCKAURKBALDH1A1
SCHEMBL22123994 0.86 PTK6 (0.45) PTK6TTKLCKAURKB
SCHEMBL22123557 0.86 PTK6 (0.48) PTK6TTKLCKAURKBALDH1A1

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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