SCHEMBL30984186

SCHEMBL30984186

CCc1c(N2CCN[C@H](C)C2)c(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1cc(Cl)c(C(F)(F)F)cc1C

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.57
▸ PIK3CD O00329 1/20 0.32
▸ PIK3C2B O00750 1/20 0.32
▸ PIK3CG P48736 1/20 0.32
▸ WDR5 P61964 1/20 0.31
▸ GAA P10253 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
SCHEMBL30984300 0.95 WRN (0.58) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30984106 0.93 WRN (0.54) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL25035210 0.93 WRN (0.61) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30984202 0.91 WRN (0.57) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30037645 0.90 WRN (0.61) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL25037112 0.90 WRN (0.61) WRNPIK3CDPIK3C2BPIK3CGWDR5
SCHEMBL30984138 0.90 WRN (0.63) WRNPIK3CDPIK3C2BPIK3CG
SCHEMBL25037344 0.89 WRN (0.70) WRNGAA
SCHEMBL30038062 0.89 WRN (0.70) WRNGAA
SCHEMBL30984287 0.88 WRN (0.55) WRNWDR5

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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