SCHEMBL24773140

SCHEMBL24773140

CS(C)(=O)=Nc1cccc(Nc2nc(Nc3ccc4c(c3)CN(C3CC3)CC4)ncc2C#N)n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TBK1 Q9UHD2 1/20 0.43
▸ WEE1 P30291 9/20 0.41
▸ BTK Q06187 5/20 0.41
▸ EGFR P00533 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ AXL P30530 1/20 0.40
▸ SYK P43405 2/20 0.39
▸ INSR P06213 1/20 0.38
▸ ALK Q9UM73 1/20 0.38
▸ MAP3K14 Q99558 1/20 0.38

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 0.91 BTK (0.49) WEE1BTKAXLSYK
SCHEMBL24773345 0.89 WEE1 (0.45) WEE1BTKEGFRJAK3AXL
SCHEMBL24773141 0.87 ALK (0.44) WEE1BTKJAK3AXLSYK
SCHEMBL24773152 0.87 BTK (0.51) WEE1BTKAXLSYK
SCHEMBL24773062 0.86 WEE1 (0.45) WEE1BTKEGFRAXLSYK
SCHEMBL24773142 0.84 AXL (0.42) WEE1BTKAXLINSRALK
SCHEMBL24773115 0.84 SYK (0.40) WEE1BTKEGFRJAK3AXL
SCHEMBL24773058 0.83 MAPT (0.44) BTKEGFRJAK3AXL
SCHEMBL24773060 0.82 BTK (0.47) WEE1BTKAXL
SCHEMBL24773877 0.82 WEE1 (0.43) WEE1SYK

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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