SCHEMBL22123586

SCHEMBL22123586

COc1ccc(-c2cnc3c(Nc4cc(C)c(NCCOCCNC(=O)O)c(F)c4)nccn23)c(F)c1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.34
▸ ZAP70 P43403 9/20 0.33
▸ KARS1 Q15046 8/20 0.33
▸ SYK P43405 4/20 0.33
▸ DHODH Q02127 1/20 0.33
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 1/20 0.31
▸ IDO1 P14902 1/20 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
SCHEMBL22123589 0.90 TTK (0.35) TTKZAP70KARS1SYKPDE4B
SCHEMBL22123805 0.89 SYK (0.34) TTKSYKDHODH
SCHEMBL22123810 0.86 TTK (0.40) TTKSYKIDO1
SCHEMBL22124722 0.85 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL24112394 0.85 TTK (0.34) TTKZAP70KARS1SYKIDO1
SCHEMBL22124854 0.84 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL25170907 0.84 MAPT (0.34) TTKSYKPDE4BPDE4D
SCHEMBL25450808 0.83 TTK (0.32) TTKZAP70KARS1SYKIDO1
SCHEMBL22124796 0.83 CDK2 (0.35) TTKZAP70KARS1
SCHEMBL30385860 0.83 CDK2 (0.35) TTKZAP70KARS1

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-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-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
WO-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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