SCHEMBL22123589

SCHEMBL22123589

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

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 6/20 0.35
▸ ZAP70 P43403 7/20 0.33
▸ KARS1 Q15046 6/20 0.33
▸ SYK P43405 3/20 0.33
▸ IDO1 P14902 3/20 0.32
▸ PDE10A Q9Y233 1/20 0.32
▸ PDE4B Q07343 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL22124722 0.95 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL24112394 0.95 TTK (0.34) TTKZAP70KARS1SYKIDO1
SCHEMBL22124854 0.94 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL22124796 0.93 CDK2 (0.35) TTKZAP70KARS1
SCHEMBL30385860 0.93 CDK2 (0.35) TTKZAP70KARS1
SCHEMBL25450808 0.93 TTK (0.32) TTKZAP70KARS1SYKIDO1
Formic Acid SCHEMBL22123789 0.93 PDE10A (0.34) TTKZAP70KARS1SYKIDO1
Bicarbonate SCHEMBL25170312 0.92 TTK (0.32) TTKZAP70KARS1SYKPDE10A
SCHEMBL30171536 0.92 BRD4 (0.39) TTKZAP70IDO1
SCHEMBL22123380 0.91 ZAP70 (0.39) TTKZAP70KARS1SYKIDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3898630-B1 NOVEL IMIDAZOPYRAZINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2023-05-10 — — EP disclosed
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-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
EP-3898629-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS 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-2020126954-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES 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-2020127075-A1 IMIDAZOPYRAZINE DERIVATIVES AS ANTIBACTERIALS F. HOFFMANN-LA ROCHE AG (CH) 2020-06-25 — — WO disclosed
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