SCHEMBL22123517

SCHEMBL22123517

Cc1cc(Nc2nccn3c(-c4ccc(OC(F)F)cc4)cnc23)ccc1C(=O)NCCOCCCl

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 17/20 0.45
▸ PTK6 Q13882 1/20 0.40
▸ BRAF P15056 1/20 0.39
▸ MAPKAPK5 Q8IW41 1/20 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
SCHEMBL22124686 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22124734 0.94 TTK (0.45) TTKPTK6BRAF
SCHEMBL22124919 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22124680 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22124704 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22124762 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22125197 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL22125103 0.94 TTK (0.45) TTKPTK6BRAFMAPKAPK5
SCHEMBL24112529 0.93 TTK (0.46) TTKPTK6BRAF
Hydrochloric Acid SCHEMBL25169381 0.93 TTK (0.44) TTKPTK6BRAFMAPKAPK5

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 8 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 disclosed
EP-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898630-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898629-A1 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
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-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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