SCHEMBL24773716

SCHEMBL24773716

Cc1cc(Nc2ncc(C#N)c(Nc3cccc(N=S(C)(C)=O)n3)n2)cc2c1CCN(C)C2

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 13/20 0.44
▸ SLC2A1 P11166 2/20 0.42
▸ BTK Q06187 1/20 0.42
▸ PLK1 P53350 1/20 0.40
▸ 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
▸ BRD4 O60885 1/20 0.39
▸ SYK P43405 1/20 0.38
▸ AXL P30530 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
SCHEMBL24773417 0.92 AXL (0.42) WEE1SLC2A1BTKPLK1CCNT1
SCHEMBL24773117 0.92 WEE1 (0.43) WEE1SLC2A1BTKPLK1SYK
SCHEMBL24773872 0.92 WEE1 (0.42) WEE1SLC2A1BTKPLK1CCNT1
SCHEMBL24773870 0.91 WEE1 (0.45) WEE1SLC2A1BTKPLK1CCNT1
SCHEMBL24773080 0.91 WEE1 (0.45) WEE1SLC2A1BTKPLK1SYK
SCHEMBL24773061 0.90 WEE1 (0.41) WEE1SLC2A1BTKPLK1SYK
SCHEMBL24773908 0.90 PKMYT1 (0.45) WEE1SLC2A1PLK1
SCHEMBL24773879 0.90 PKMYT1 (0.47) WEE1SLC2A1PLK1BRD4
SCHEMBL24773067 0.90 BTK (0.49) WEE1SLC2A1BTKPLK1BRD4
SCHEMBL24773999 0.90 WEE1 (0.41) WEE1SLC2A1BTKPLK1SYK

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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