SCHEMBL22123692

SCHEMBL22123692

COc1ccc(-c2cnc3c(Nc4ccc(C(=O)N(C)CCC(=O)O)c(C)c4)nccn23)cc1F

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPKAPK5 Q8IW41 1/20 0.43
▸ TTK P33981 9/20 0.42
▸ SYK P43405 4/20 0.40
▸ PTK6 Q13882 3/20 0.40
▸ AURKB Q96GD4 2/20 0.37
▸ CDK2 P24941 1/20 0.37
▸ AURKA O14965 1/20 0.37
▸ PDE4B Q07343 1/20 0.36
▸ PDE4D Q08499 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
SCHEMBL22122913 0.96 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL30171674 0.96 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22124330 0.93 MAPKAPK5 (0.42) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22154245 0.92 MAPKAPK5 (0.42) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22123361 0.91 MAPKAPK5 (0.44) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL24112349 0.91 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22124747 0.91 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22142784 0.91 MAPKAPK5 (0.41) MAPKAPK5TTKSYKPTK6AURKB
SCHEMBL22123086 0.90 PTK6 (0.48) MAPKAPK5TTKPTK6AURKB
SCHEMBL22139064 0.90 MAPKAPK5 (0.46) MAPKAPK5TTKSYKPTK6AURKB

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 10 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-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-3897839-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — 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-2020126953-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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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