SCHEMBL27377653

SCHEMBL27377653

Cc1c(N2CCN(C(=O)c3c(O)cccc3O)CC2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.58
▸ CA1 P00915 1/20 0.34
▸ CA2 P00918 1/20 0.34
▸ CA7 P43166 1/20 0.34
▸ EPHX2 P34913 5/20 0.34
▸ POLB P06746 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ FPR1 P21462 1/20 0.32
▸ FPR2 P25090 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ TRPV1 Q8NER1 1/20 0.32
▸ CETP P11597 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ RAF1 P04049 1/20 0.32
▸ BRAF P15056 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ HPGDS O60760 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
SCHEMBL27377943 0.97 WRN (0.55) WRNCA1CA2CA7EPHX2
SCHEMBL27382052 0.96 WRN (0.59) WRNCA1CA2CA7EPHX2
SCHEMBL25036931 0.93 WRN (0.59) WRNCA1CA2CA7EPHX2
SCHEMBL25036978 0.91 WRN (0.59) WRNCA1CA2CA7EPHX2
SCHEMBL27377561 0.91 WRN (0.57) WRNCA1CA2CA7EPHX2
SCHEMBL27379356 0.90 WRN (0.56) WRNCA1CA2CA7EPHX2
SCHEMBL27378044 0.90 WRN (0.56) WRNCA1CA2CA7EPHX2
SCHEMBL27378045 0.90 WRN (0.56) WRNCA1CA2CA7EPHX2
SCHEMBL27377743 0.89 WRN (0.57) WRNKDM4ELMNAMAPTKDR
SCHEMBL31005818 0.89 WRN (0.55) WRNCA1CA2CA7EPHX2

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
Send feedback