SCHEMBL30984158

SCHEMBL30984158

CCc1c(Br)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)c(F)c1C

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.53
▸ PIK3CD O00329 2/20 0.37
▸ PIK3C2B O00750 1/20 0.37
▸ PIK3CG P48736 1/20 0.37
▸ PIK3CB P42338 1/20 0.35
▸ THRB P10828 1/20 0.32
▸ TDP1 Q9NUW8 2/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ PIK3CA P42336 1/20 0.30
▸ MTOR P42345 1/20 0.30

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
SCHEMBL30037526 0.89 WRN (0.58) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL25037046 0.89 WRN (0.58) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984167 0.88 WRN (0.52) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL31245742 0.87 WRN (0.62) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984126 0.87 WRN (0.55) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984113 0.86 WRN (0.47) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL25035206 0.86 WRN (0.59) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30038317 0.86 WRN (0.59) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984220 0.85 WRN (0.56) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984123 0.85 WRN (0.56) WRNPIK3CDPIK3C2BPIK3CGPIK3CB

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-2024153155-A1 DOUBLE-HETEROCYCLIC WRN INHIBITOR, AND PREPARATION METHOD THEREFOR AND USE THEREOF 成都微芯药业有限公司 2024-07-25 — — WO disclosed
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