SCHEMBL24773345

SCHEMBL24773345

CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 11/20 0.45
▸ BTK Q06187 2/20 0.44
▸ AXL P30530 1/20 0.43
▸ SYK P43405 1/20 0.43
▸ SLC2A1 P11166 2/20 0.43
▸ PKMYT1 Q99640 2/20 0.42
▸ PLK1 P53350 1/20 0.42
▸ BRD4 O60885 1/20 0.41
▸ EGFR P00533 1/20 0.41
▸ JAK3 P52333 1/20 0.41

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
SCHEMBL24773067 0.97 BTK (0.49) WEE1BTKAXLSYKSLC2A1
SCHEMBL24773062 0.92 WEE1 (0.45) WEE1BTKAXLSYKSLC2A1
SCHEMBL24773141 0.90 ALK (0.44) WEE1BTKAXLSYKJAK3
SCHEMBL24773152 0.90 BTK (0.51) WEE1BTKAXLSYK
SCHEMBL24773140 0.89 TBK1 (0.43) WEE1BTKAXLSYKEGFR
SCHEMBL24773877 0.89 WEE1 (0.43) WEE1SYKSLC2A1PKMYT1PLK1
SCHEMBL24773878 0.89 WEE1 (0.43) WEE1BTKSYKSLC2A1PKMYT1
SCHEMBL24773716 0.88 WEE1 (0.44) WEE1BTKAXLSYKSLC2A1
SCHEMBL24773115 0.88 SYK (0.40) WEE1BTKAXLSYKPLK1
SCHEMBL24773060 0.88 BTK (0.47) WEE1BTKAXLPKMYT1

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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