SCHEMBL24773087

SCHEMBL24773087

CN1CCN(c2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 13/20 0.58
▸ SLC2A1 P11166 1/20 0.57
▸ PLK1 P53350 1/20 0.56
▸ BRD4 O60885 5/20 0.51
▸ ALK Q9UM73 1/20 0.48
▸ JAK2 O60674 1/20 0.48

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
SCHEMBL24773361 0.92 WEE1 (0.57) WEE1SLC2A1PLK1BRD4JAK2
SCHEMBL24773118 0.92 WEE1 (0.51) WEE1SLC2A1PLK1BRD4JAK2
SCHEMBL24773067 0.87 BTK (0.49) WEE1SLC2A1PLK1BRD4
SCHEMBL24773345 0.87 WEE1 (0.45) WEE1SLC2A1PLK1BRD4
SCHEMBL24773062 0.87 WEE1 (0.45) WEE1SLC2A1PLK1BRD4
SCHEMBL24773879 0.86 PKMYT1 (0.47) WEE1SLC2A1PLK1BRD4JAK2
SCHEMBL24773089 0.83 SLC2A1 (0.63) WEE1SLC2A1BRD4ALKJAK2
SCHEMBL24773716 0.83 WEE1 (0.44) WEE1SLC2A1PLK1BRD4
SCHEMBL24773143 0.83 WEE1 (0.42) WEE1SLC2A1PLK1BRD4
SCHEMBL24773417 0.83 AXL (0.42) WEE1SLC2A1PLK1

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-2022174796-A1 PYRIMIDINE COMPOUND AS WEE-1 INHIBITOR 微境生物医药科技(上海)有限公司 2022-08-25 — — WO disclosed
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