SCHEMBL30656352

SCHEMBL30656352

C[C@@]1(O)CCc2ccc(-n3cc(F)c4cnc(Cl)nc43)nc21

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 11/20 0.36
PLK1 P53350 5/20 0.33
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL26644607 1.00 WEE1 (0.36) WEE1PLK1SMN1; SMN2
SCHEMBL26644601 1.00 WEE1 (0.36) WEE1PLK1SMN1; SMN2
SCHEMBL25100722 0.89 WEE1 (0.39) WEE1PLK1
SCHEMBL25100720 0.89 WEE1 (0.39) WEE1PLK1
SCHEMBL26644462 0.89 WEE1 (0.39) WEE1PLK1
SCHEMBL26644456 0.80 WEE1 (0.35) WEE1
SCHEMBL30656392 0.80 WEE1 (0.35) WEE1
SCHEMBL26644452 0.80 WEE1 (0.35) WEE1
SCHEMBL25818945 0.77 WEE1 (0.40) WEE1PLK1
SCHEMBL25818943 0.77 WEE1 (0.40) WEE1PLK1

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-2023217201-A2 NOVEL PYRIMIDO-HETEROCYCLIC NOVEL COMPOUND SERVING AS WEE1 INHIBITOR AND APPLICATION THEREOF 杭州德睿智药科技有限公司 2023-11-16 WO disclosed