SCHEMBL31394184

SCHEMBL31394184

CCc1c(N2CCN[C@H](C)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.71
▸ ACHE P22303 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.33
▸ ALDH1A1 P00352 6/20 0.32
▸ NPSR1 Q6W5P4 1/20 0.32
▸ TSHR P16473 3/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ LMNA P02545 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ MAPT P10636 3/20 0.31
▸ HTT P42858 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
SCHEMBL31394724 1.00 WRN (0.71) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL25037344 0.95 WRN (0.70) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL30038062 0.95 WRN (0.70) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL25035189 0.93 WRN (0.74) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL30037352 0.93 WRN (0.74) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL25035266 0.91 WRN (0.67) WRNACHEPOLBL3MBTL1HSD17B10
Trifluoroacetic Acid SCHEMBL31270618 0.91 WRN (0.73) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL25037374 0.91 WRN (0.67) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL31394101 0.91 WRN (0.72) WRNACHEPOLBL3MBTL1HSD17B10
SCHEMBL25035264 0.91 WRN (0.67) WRNACHEPOLBL3MBTL1HSD17B10

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-2025049746-A1 COMPOSITIONS COMPRISING WERNER SYNDROME HELICASE INHIBITORS AND METHODS OF USING THE SAME EIKON THERAPEUTICS, INC. (US) 2025-03-06 — — WO disclosed
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