SCHEMBL22122991

SCHEMBL22122991

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCCCC(N)C(=O)O

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.43
▸ PTK6 Q13882 1/20 0.37
▸ MAPKAPK5 Q8IW41 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
SCHEMBL22122988 1.00 TTK (0.43) TTKPTK6MAPKAPK5
SCHEMBL30171364 0.94 TTK (0.43) TTKPTK6MAPKAPK5
SCHEMBL22160911 0.94 TTK (0.43) TTKPTK6MAPKAPK5
SCHEMBL25013686 0.92 TTK (0.43) TTKPTK6MAPKAPK5
SCHEMBL22123002 0.90 TTK (0.45) TTKPTK6MAPKAPK5
SCHEMBL24870806 0.90 TTK (0.45) TTKPTK6MAPKAPK5
Hydrochloric Acid SCHEMBL25176493 0.90 TTK (0.45) TTKPTK6MAPKAPK5
SCHEMBL30171886 0.90 TTK (0.45) TTKPTK6MAPKAPK5
SCHEMBL22123451 0.89 TTK (0.48) TTKPTK6MAPKAPK5
SCHEMBL22124626 0.88 TTK (0.40) TTKPTK6MAPKAPK5

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP claimed
WO-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO claimed
EP-3898631-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS HOFFMANN LA ROCHE (CH) 2023-01-18 — — EP disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — 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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