SCHEMBL30984318

SCHEMBL30984318

CCc1cc(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1cc(F)c(C(F)(F)F)cc1C

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.45
▸ PIK3CD O00329 4/20 0.35
▸ PIK3CG P48736 3/20 0.35
▸ PIK3C2B O00750 1/20 0.35
▸ PIK3CB P42338 3/20 0.34
▸ THRB P10828 1/20 0.34
▸ WDR5 P61964 2/20 0.33
▸ IDH2 P48735 2/20 0.32
▸ PIK3CA P42336 2/20 0.31
▸ MAPT P10636 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL30984280 0.92 WRN (0.49) WRNPIK3CDPIK3CGPIK3C2BPIK3CB
SCHEMBL30984191 0.92 WRN (0.49) WRNPIK3CDPIK3CGPIK3C2BPIK3CB
SCHEMBL30984113 0.88 WRN (0.47) WRNPIK3CDPIK3CGPIK3C2BPIK3CB
SCHEMBL30984167 0.86 WRN (0.52) WRNPIK3CDPIK3CGPIK3C2BPIK3CB
SCHEMBL30984247 0.86 WRN (0.49) WRNPIK3CDPIK3CGPIK3C2BPIK3CB
SCHEMBL31713883 0.83 WRN (0.49) WRNPIK3CDPIK3CBPIK3CAMAPT
SCHEMBL25036704 0.83 WRN (0.57) WRNPIK3CDPIK3CGPIK3C2BWDR5
SCHEMBL30038198 0.83 WRN (0.57) WRNPIK3CDPIK3CGPIK3C2BWDR5
SCHEMBL25036852 0.83 WRN (0.61) WRNPIK3CDPIK3CBMAPTPOLB
SCHEMBL30038447 0.83 WRN (0.61) WRNPIK3CDPIK3CBMAPTPOLB

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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