SCHEMBL24773879

SCHEMBL24773879

CN1CCN(c2cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc3c2CCN(C)C3)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKMYT1 Q99640 2/20 0.47
▸ SLC2A1 P11166 2/20 0.46
▸ WEE1 P30291 15/20 0.46
▸ PLK1 P53350 1/20 0.43
▸ JAK2 O60674 1/20 0.39
▸ BRD4 O60885 1/20 0.39
▸ JAK1 P23458 1/20 0.39
▸ BRD2 P25440 1/20 0.39
▸ JAK3 P52333 1/20 0.39
▸ BRD3 Q15059 1/20 0.39
▸ BRDT Q58F21 1/20 0.39

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
SCHEMBL24773103 0.96 PKMYT1 (0.43) PKMYT1SLC2A1WEE1PLK1
SCHEMBL24773994 0.96 PKMYT1 (0.43) PKMYT1SLC2A1WEE1PLK1
SCHEMBL24773406 0.92 PKMYT1 (0.43) PKMYT1SLC2A1WEE1PLK1
SCHEMBL24773988 0.91 WEE1 (0.41) PKMYT1SLC2A1WEE1PLK1
SCHEMBL24773876 0.91 WEE1 (0.41) PKMYT1SLC2A1WEE1PLK1
SCHEMBL24773716 0.90 WEE1 (0.44) SLC2A1WEE1PLK1BRD4
SCHEMBL24773417 0.90 AXL (0.42) SLC2A1WEE1PLK1
SCHEMBL24773872 0.90 WEE1 (0.42) SLC2A1WEE1PLK1
SCHEMBL24773117 0.90 WEE1 (0.43) SLC2A1WEE1PLK1
SCHEMBL24773870 0.89 WEE1 (0.45) PKMYT1SLC2A1WEE1PLK1

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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