SCHEMBL25818945

SCHEMBL25818945

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

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 18/20 0.40
PLK1 P53350 8/20 0.38
EGFR P00533 1/20 0.38
CYP3A4 P08684 1/20 0.38
MAP3K19 Q56UN5 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 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
SCHEMBL25818943 1.00 WEE1 (0.40) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100722 0.89 WEE1 (0.39) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL26644462 0.89 WEE1 (0.39) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100720 0.89 WEE1 (0.39) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25831324 0.87 WEE1 (0.40) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25818955 0.81 WEE1 (0.38) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25818954 0.80 WEE1 (0.39) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100699 0.78 WEE1 (0.67) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25100705 0.78 WEE1 (0.67) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25101126 0.78 WEE1 (0.67) WEE1PLK1EGFRCYP3A4MAP3K19

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-2023125944-A1 COMPOUND CONTAINING HETEROCYCLIC RING 正大天晴药业集团股份有限公司 2023-07-06 WO disclosed