SCHEMBL30984167

SCHEMBL30984167

CCc1c(Br)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1cc(F)c(C(F)(F)F)cc1C

nearest known ligand 0.52

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.52
▸ PIK3CD O00329 2/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3CG P48736 1/20 0.35
▸ WDR5 P61964 2/20 0.32
▸ PIK3CB P42338 1/20 0.32
▸ THRB P10828 1/20 0.32
▸ IDH2 P48735 2/20 0.31
▸ AKR1B1 P15121 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
SCHEMBL30984123 0.92 WRN (0.56) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30984220 0.92 WRN (0.56) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL25036704 0.89 WRN (0.57) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30038198 0.89 WRN (0.57) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL31245742 0.89 WRN (0.62) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984158 0.88 WRN (0.53) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984310 0.87 WRN (0.57) WRNPIK3CDPIK3C2BPIK3CGPIK3CB
SCHEMBL30984106 0.87 WRN (0.54) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30984318 0.86 WRN (0.45) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL25037208 0.86 WRN (0.58) WRNPIK3CDPIK3C2BPIK3CGWDR5

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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