SCHEMBL30984113

SCHEMBL30984113

CCc1cc(=O)n2nc(C3=CCOCC3)nc2n1CC(=O)Nc1ccc(C(F)(F)F)c(F)c1C

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ WRN Q14191 1/20 0.47
▸ PIK3CD O00329 8/20 0.39
▸ PIK3CB P42338 7/20 0.39
▸ PIK3CG P48736 7/20 0.38
▸ PIK3C2B O00750 1/20 0.38
▸ THRB P10828 1/20 0.36
▸ PIK3CA P42336 6/20 0.34
▸ MAPT P10636 1/20 0.32
▸ WDR5 P61964 2/20 0.31
▸ MTOR P42345 1/20 0.31
▸ IDH2 P48735 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ TDP1 Q9NUW8 1/20 0.30
▸ WNT3A P56704 2/20 0.30
▸ TP53 P04637 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
SCHEMBL30984318 0.88 WRN (0.45) WRNPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL30984158 0.86 WRN (0.53) WRNPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL30984191 0.86 WRN (0.49) WRNPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL30984280 0.86 WRN (0.49) WRNPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL30984247 0.85 WRN (0.49) WRNPIK3CDPIK3CBPIK3CGPIK3C2B
SCHEMBL25036852 0.85 WRN (0.61) WRNPIK3CDPIK3CBMAPT
SCHEMBL30038447 0.85 WRN (0.61) WRNPIK3CDPIK3CBMAPT
SCHEMBL30984132 0.85 WRN (0.35) WRNPIK3CDPIK3CBPIK3CGTHRB
SCHEMBL31713883 0.84 WRN (0.49) WRNPIK3CDPIK3CBPIK3CAMAPT
SCHEMBL25037046 0.82 WRN (0.58) WRNPIK3CDPIK3CBPIK3CGPIK3C2B

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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