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SCHEMBL25824588

SCHEMBL25824588

CC[C@@]1(O)CCc2ccc(-n3c(C4CC4)cc4cnc(Nc5ccc(NCCNC6CCN(C7CN(c8cc9c(cc8F)C(=O)N(C8CCC(=O)NC8=O)C9)C7)CC6)cc5)nc43)nc21

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 15/20 0.38
▸ EGFR P00533 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ PLK1 P53350 1/20 0.36
▸ MAP3K19 Q56UN5 1/20 0.36
▸ PLK3 Q9H4B4 1/20 0.36
▸ PLK2 Q9NYY3 1/20 0.36
▸ CRBN Q96SW2 3/20 0.35
▸ IKZF2 Q9UKS7 2/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ IKZF1 Q13422 1/20 0.33

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
SCHEMBL25831524 0.92 WEE1 (0.40) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25831451 0.92 WEE1 (0.44) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824591 0.91 WEE1 (0.39) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824351 0.91 WEE1 (0.40) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824367 0.90 WEE1 (0.46) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824496 0.89 WEE1 (0.44) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824364 0.89 WEE1 (0.44) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25824342 0.88 WEE1 (0.54) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25831323 0.87 WEE1 (0.40) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25827839 0.87 WEE1 (0.54) WEE1EGFRCYP3A4PLK1MAP3K19

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