SCHEMBL22160298

SCHEMBL22160298

COc1ccc(-c2cnc3c(Nc4ccc(C(C)=O)c(C)c4)nccn23)cc1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 12/20 0.48
▸ PTK6 Q13882 2/20 0.46
▸ MAPKAPK5 Q8IW41 2/20 0.43
▸ SYK P43405 1/20 0.42
▸ MEN1 O00255 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ AURKA O14965 1/20 0.41
▸ SRC P12931 1/20 0.40

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
SCHEMBL22123273 0.93 TTK (0.50) TTKPTK6MAPKAPK5SYKMEN1
SCHEMBL25173790 0.93 TTK (0.48) TTKPTK6MAPKAPK5SYKAURKA
SCHEMBL30177930 0.92 SYK (0.51) TTKPTK6MAPKAPK5SYK
SCHEMBL22122930 0.91 TTK (0.49) TTKPTK6MAPKAPK5SYK
SCHEMBL22123505 0.90 TTK (0.46) TTKPTK6MAPKAPK5SYKAURKA
SCHEMBL22160262 0.89 TTK (0.49) TTKPTK6MAPKAPK5AURKA
SCHEMBL30171879 0.88 TTK (0.44) TTKPTK6MAPKAPK5SYKAURKA
SCHEMBL24870730 0.88 TTK (0.44) TTKPTK6MAPKAPK5SYKAURKA
SCHEMBL24104678 0.87 TTK (0.44) TTKPTK6MAPKAPK5GAAMAPT
SCHEMBL30168196 0.87 TTK (0.44) TTKPTK6MAPKAPK5GAAMAPT

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-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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