SCHEMBL24773417

SCHEMBL24773417

CN1CCc2c(Cl)cc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ AXL P30530 1/20 0.42
▸ WEE1 P30291 15/20 0.42
▸ SLC2A1 P11166 1/20 0.39
▸ PLK1 P53350 1/20 0.39
▸ CCNT1 O60563 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ CDK7 P50613 1/20 0.39
▸ CDK9 P50750 1/20 0.39
▸ CCNH P51946 1/20 0.39
▸ BTK Q06187 1/20 0.38
▸ SYK P43405 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
SCHEMBL24773716 0.92 WEE1 (0.44) AXLWEE1SLC2A1PLK1CCNT1
SCHEMBL24773872 0.91 WEE1 (0.42) AXLWEE1SLC2A1PLK1CCNT1
SCHEMBL24773117 0.91 WEE1 (0.43) AXLWEE1SLC2A1PLK1BTK
SCHEMBL24773870 0.90 WEE1 (0.45) AXLWEE1SLC2A1PLK1CCNT1
SCHEMBL24773080 0.90 WEE1 (0.45) AXLWEE1SLC2A1PLK1BTK
SCHEMBL24773879 0.90 PKMYT1 (0.47) WEE1SLC2A1PLK1
SCHEMBL24773061 0.90 WEE1 (0.41) AXLWEE1SLC2A1PLK1BTK
SCHEMBL24773908 0.90 PKMYT1 (0.45) WEE1SLC2A1PLK1
SCHEMBL24773067 0.89 BTK (0.49) AXLWEE1SLC2A1PLK1BTK
SCHEMBL24773392 0.89 WEE1 (0.41) WEE1SLC2A1PLK1SYK

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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