SCHEMBL27378955

SCHEMBL27378955

CCc1c(N2CCN(C(C)=O)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.64
▸ LMNA P02545 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ ENPP2 Q13822 2/20 0.34
▸ POLB P06746 2/20 0.33
▸ KDM4E B2RXH2 2/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ FPR2 P25090 1/20 0.33
▸ PIK3CA P42336 3/20 0.33
▸ MTOR P42345 2/20 0.33
▸ EPHX2 P34913 2/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ HTT P42858 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ OGA O60502 1/20 0.32
▸ HSD17B10 Q99714 1/20 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
SCHEMBL27379356 0.92 WRN (0.56) WRNLMNAMAPTENPP2POLB
SCHEMBL25035182 0.92 WRN (0.61) WRNLMNAMAPTKDM4EMEN1
SCHEMBL25037190 0.91 WRN (0.60) WRNLMNAMAPTPOLBKDM4E
SCHEMBL27379032 0.91 WRN (0.72) WRNLMNAENPP2POLBKDM4E
SCHEMBL27379979 0.90 WRN (0.69) WRNLMNAMAPTENPP2POLB
SCHEMBL27381970 0.90 WRN (0.53) WRNLMNAMAPTENPP2POLB
SCHEMBL27379033 0.90 WRN (0.79) WRNLMNAMAPTPOLBKDM4E
SCHEMBL31394634 0.90 WRN (0.79) WRNLMNAMAPTPOLBKDM4E
SCHEMBL25035017 0.89 WRN (0.68) WRNLMNAMAPTKDM4EMEN1
SCHEMBL25036938 0.88 WRN (0.67) WRNKDM4ECA1CA2CA7

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-2024105553-A1 BICYCLIC HETEROCYCLES AND THEIR USE AS WRN INHIBITORS NOVARTIS AG (CH) 2024-05-23 — — WO disclosed
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