SCHEMBL22123385

SCHEMBL22123385

CCc1cc(Nc2nccn3c(-c4ccc(OCC#N)c(F)c4F)cnc23)ccc1C(=O)NCCOCCNC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 4/20 0.33
▸ PTK6 Q13882 1/20 0.33
▸ IRAK4 Q9NWZ3 1/20 0.32
▸ CDK2 P24941 2/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ MAPKAPK5 Q8IW41 1/20 0.31
▸ IDO1 P14902 3/20 0.31

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
SCHEMBL22123337 0.96 TTK (0.34) TTKPTK6CDK2CDK1MAPKAPK5
SCHEMBL30171576 0.94 MAPKAPK5 (0.33) TTKPTK6IRAK4CDK2CDK1
SCHEMBL22124583 0.94 MAPKAPK5 (0.33) TTKPTK6IRAK4CDK2CDK1
SCHEMBL24112570 0.93 PTK6 (0.33) TTKPTK6IRAK4MAPKAPK5
SCHEMBL22124797 0.93 CDK2 (0.36) TTKPTK6IRAK4CDK2CDK1
Iodide SCHEMBL25170306 0.92 PTK6 (0.33) TTKPTK6IRAK4CDK2CDK1
SCHEMBL24112575 0.92 PTK6 (0.32) TTKPTK6IRAK4MAPKAPK5
SCHEMBL30171830 0.92 BRD4 (0.37) TTKPTK6IRAK4
SCHEMBL22123383 0.91 TTK (0.32) TTKPTK6
SCHEMBL22123733 0.91 TTK (0.34) TTKPTK6MAPKAPK5IDO1

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-3897840-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS F. Hoffmann-La Roche AG (CH) 2021-10-27 — — EP disclosed
EP-3898631-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-3897839-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
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-2020126956-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIAL AGENTS 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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