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SCHEMBL25824218

SCHEMBL25824218

C=CCn1c(=O)c2cnc(Nc3ccc(NCCNC4CCC5(CC4)CCN(Cc4ccc6c(c4)C(=O)N(C4CCC(=O)NC4=O)C6=O)CC5)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 20/20 0.55
▸ PLK1 P53350 9/20 0.54
▸ EGFR P00533 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ MAP3K19 Q56UN5 1/20 0.54
▸ PLK3 Q9H4B4 1/20 0.54
▸ PLK2 Q9NYY3 1/20 0.54
▸ CRBN Q96SW2 10/20 0.49

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
SCHEMBL25824216 0.92 WEE1 (0.61) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25827093 0.90 WEE1 (0.62) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824206 0.87 WEE1 (0.59) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824223 0.86 WEE1 (0.59) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824208 0.85 WEE1 (0.56) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25822463 0.84 WEE1 (0.73) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25824219 0.84 WEE1 (0.64) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25821662 0.83 WEE1 (0.66) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL25821750 0.83 WEE1 (0.66) WEE1PLK1EGFRCYP3A4MAP3K19
SCHEMBL29986653 0.82 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