SCHEMBL24773067

SCHEMBL24773067

CN1CCc2ccc(Nc3ncc(C#N)c(Nc4cccc(N=S(C)(C)=O)n4)n3)cc2C1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 1/20 0.49
▸ AXL P30530 2/20 0.48
▸ WEE1 P30291 11/20 0.45
▸ SLC2A1 P11166 2/20 0.43
▸ PLK1 P53350 1/20 0.42
▸ SYK P43405 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ TNK2 Q07912 1/20 0.42
▸ PKMYT1 Q99640 1/20 0.42

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
SCHEMBL24773345 0.97 WEE1 (0.45) BTKAXLWEE1SLC2A1PLK1
SCHEMBL24773062 0.95 WEE1 (0.45) BTKAXLWEE1SLC2A1PLK1
SCHEMBL24773141 0.92 ALK (0.44) BTKAXLWEE1SYKTNK2
SCHEMBL24773152 0.92 BTK (0.51) BTKAXLWEE1SYK
SCHEMBL24773140 0.91 TBK1 (0.43) BTKAXLWEE1SYK
SCHEMBL24773154 0.90 AXL (0.46) BTKAXLWEE1SLC2A1SYK
SCHEMBL24773142 0.90 AXL (0.42) BTKAXLWEE1
SCHEMBL24773716 0.90 WEE1 (0.44) BTKAXLWEE1SLC2A1PLK1
SCHEMBL24773143 0.89 WEE1 (0.42) BTKWEE1SLC2A1PLK1SYK
SCHEMBL24773146 0.89 MAP3K14 (0.48) BTKAXLWEE1SLC2A1SYK

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
Send feedback