SCHEMBL25833636

SCHEMBL25833636

C=CCn1c(=O)c2cnc(NC(C)C)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2

nearest known ligand 0.70

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.70
EGFR P00533 1/20 0.70
CYP3A4 P08684 1/20 0.70
PLK1 P53350 1/20 0.70
MAP3K19 Q56UN5 1/20 0.70
PLK3 Q9H4B4 1/20 0.70
PLK2 Q9NYY3 1/20 0.70

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
SCHEMBL25819500 0.92 WEE1 (0.74) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25826559 0.87 WEE1 (0.61) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25568658 0.87 WEE1 (0.81) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25594626 0.87 WEE1 (0.81) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25818844 0.87 WEE1 (0.67) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25825190 0.86 WEE1 (0.76) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25831911 0.86 WEE1 (0.63) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL29986766 0.86 WEE1 (0.80) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25835048 0.86 WEE1 (0.66) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL25834808 0.86 WEE1 (0.66) 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