SCHEMBL31590577

SCHEMBL31590577

CCc1c(N2CCN(C(=O)OC(C)(C)C)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc2c(c1)CCCC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.54
▸ NOD2 Q9HC29 3/20 0.46
▸ NOD1 Q9Y239 3/20 0.46
▸ NPC1 O15118 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ MAPK1 P28482 1/20 0.39
▸ MAPT P10636 3/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ESR2 Q92731 1/20 0.37
▸ MTOR P42345 2/20 0.37
▸ GAA P10253 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ PIK3CA P42336 1/20 0.36
▸ HTT P42858 3/20 0.35
▸ LMNA P02545 3/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ USP2 O75604 1/20 0.35
▸ NR2F2 P24468 1/20 0.35

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
SCHEMBL25035182 0.89 WRN (0.61) WRNNOD2NOD1NPC1MAPT
SCHEMBL30038140 0.86 WRN (0.58) WRNNOD2NOD1NPC1MAPT
SCHEMBL30038998 0.86 WRN (0.58) WRNNOD2NOD1NPC1MAPT
SCHEMBL25037086 0.86 WRN (0.65) WRNNOD2NOD1MAPTALDH1A1
SCHEMBL30038334 0.86 WRN (0.65) WRNNOD2NOD1MAPTALDH1A1
SCHEMBL25035229 0.85 WRN (0.51) WRNALDH1A1SMN1; SMN2PIK3CAUSP2
SCHEMBL25037372 0.85 WRN (0.51) WRNMAPTALDH1A1ESR2PIK3CA
Trifluoroacetic Acid SCHEMBL31590572 0.85 WRN (0.54) WRNNOD2NOD1MAPK1MAPT
SCHEMBL25037129 0.85 WRN (0.64) WRNNOD2NOD1MAPTALDH1A1
SCHEMBL25037295 0.85 WRN (0.68) WRNNOD2NOD1MAPTALDH1A1

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
CN-120040475-A Compounds as WRN inhibitors and uses thereof 南京圣和药业股份有限公司 2025-05-27 — — CN disclosed
Send feedback