SCHEMBL25830888

SCHEMBL25830888

C=CCn1c(=O)c2cnc(Nc3ccc(NCCNC4CN(C(=O)C(F)(F)F)C4)cc3)nc2n1-c1ccc2c(n1)[C@](O)(CC)CC2

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.67
EGFR P00533 1/20 0.67
CYP3A4 P08684 1/20 0.67
PLK1 P53350 1/20 0.67
MAP3K19 Q56UN5 1/20 0.67
PLK3 Q9H4B4 1/20 0.67
PLK2 Q9NYY3 1/20 0.67

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
SCHEMBL25826957 0.88 WEE1 (0.77) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25830690 0.88 WEE1 (0.77) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL29986842 0.88 WEE1 (0.83) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21334002 0.88 WEE1 (0.83) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL21334001 0.88 WEE1 (0.83) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25827846 0.87 WEE1 (0.65) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30984797 0.87 WEE1 (0.79) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30984965 0.85 WEE1 (0.77) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25830515 0.85 WEE1 (0.76) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30817328 0.84 WEE1 (0.79) 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