SCHEMBL22139092

SCHEMBL22139092

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N5CCN(C(=O)[C@@H]6CCCN6)CC5)c(C)c4)nccn23)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ PTK6 Q13882 14/20 0.45
▸ AURKB Q96GD4 5/20 0.41
▸ LCK P06239 5/20 0.38
▸ TTK P33981 3/20 0.37
▸ MAPKAPK5 Q8IW41 1/20 0.37
▸ PARP1 P09874 2/20 0.36

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
SCHEMBL22139168 1.00 PTK6 (0.45) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22139240 1.00 PTK6 (0.45) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL24910344 0.94 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL24910502 0.94 PTK6 (0.46) PTK6AURKBLCK
SCHEMBL22154507 0.93 PTK6 (0.54) PTK6AURKBLCK
SCHEMBL22139081 0.93 PTK6 (0.54) PTK6AURKBLCK
SCHEMBL30177571 0.92 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22154351 0.92 PTK6 (0.40) PTK6AURKBLCKTTKMAPKAPK5
SCHEMBL22142955 0.92 PTK6 (0.44) PTK6AURKBLCKMAPKAPK5PARP1
SCHEMBL22139096 0.92 PTK6 (0.44) PTK6AURKBLCKMAPKAPK5PARP1

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-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
WO-2020126952-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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