SCHEMBL25828125

SCHEMBL25828125

CC[C@H]1CCc2ccc(-n3c4nc(SC)ncc4c(=O)n3CC3CC3)nc21

nearest known ligand 0.43

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.43
PLK1 P53350 2/20 0.36
PKMYT1 Q99640 3/20 0.32

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
SCHEMBL21349331 0.89 WEE1 (0.52) WEE1PLK1
SCHEMBL21349629 0.77 WEE1 (0.64) WEE1PLK1
SCHEMBL23126643 0.76 WEE1 (0.40) WEE1PLK1
SCHEMBL20875616 0.75 WEE1 (0.58) WEE1PLK1PKMYT1
SCHEMBL24740820 0.74 WEE1 (0.62) WEE1
SCHEMBL22851870 0.74 WEE1 (0.58) WEE1PLK1
SCHEMBL25676277 0.70 WEE1 (0.51) WEE1PLK1
SCHEMBL25818940 0.69 WEE1 (0.67) WEE1PLK1
SCHEMBL21350111 0.67 WEE1 (0.64) WEE1PLK1
SCHEMBL25576991 0.67 WEE1 (0.64) WEE1PLK1

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed