SCHEMBL24112394

SCHEMBL24112394

CCOCCNC(=O)c1c(C)cc(Nc2nccn3c(-c4ccc(OC)c(F)c4F)cnc23)cc1F

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TTK P33981 7/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PIK3CG P48736 1/20 0.33
▸ ZAP70 P43403 5/20 0.33
▸ KARS1 Q15046 4/20 0.33
▸ SYK P43405 3/20 0.33
▸ IDO1 P14902 3/20 0.33
▸ PTK2 Q05397 2/20 0.32

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 0.95 TTK (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL22124722 0.94 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL22124854 0.94 PDE10A (0.35) TTKZAP70KARS1SYKIDO1
SCHEMBL22124796 0.92 CDK2 (0.35) TTKZAP70KARS1PTK2
SCHEMBL30385860 0.92 CDK2 (0.35) TTKZAP70KARS1PTK2
SCHEMBL25450808 0.92 TTK (0.32) TTKZAP70KARS1SYKIDO1
SCHEMBL30171548 0.92 ZAP70 (0.39) TTKZAP70KARS1SYKIDO1
SCHEMBL22123380 0.92 ZAP70 (0.39) TTKZAP70KARS1SYKIDO1
Formic Acid SCHEMBL22123789 0.92 PDE10A (0.34) TTKZAP70KARS1SYKIDO1
SCHEMBL30171536 0.91 BRD4 (0.39) TTKZAP70IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021249896-A1 NOVEL IMIDAZOPYRAZINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2021-12-16 — — WO disclosed
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