SCHEMBL27293256

SCHEMBL27293256

C=CCn1c(=O)c2cnc(Nc3ccc(N4CCN(c5ccc(NC6CCC(=O)NC6=O)cc5)CC4)cc3)nc2n1-c1ccc2c(n1)[C@@](O)(CC)CC2

nearest known ligand 0.79

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
WEE1 P30291 20/20 0.79
EGFR P00533 1/20 0.79
CYP3A4 P08684 1/20 0.79
PLK1 P53350 1/20 0.79
MAP3K19 Q56UN5 1/20 0.79
PLK3 Q9H4B4 1/20 0.79
PLK2 Q9NYY3 1/20 0.79

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
SCHEMBL27293934 0.96 WEE1 (0.74) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL30817385 0.96 WEE1 (0.73) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27293231 0.96 WEE1 (0.73) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27293817 0.95 WEE1 (0.72) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27291857 0.95 WEE1 (0.73) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27291965 0.95 WEE1 (0.76) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27291858 0.95 WEE1 (0.70) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27293909 0.94 WEE1 (0.70) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27293864 0.94 WEE1 (0.70) WEE1EGFRCYP3A4PLK1MAP3K19
SCHEMBL27291861 0.94 WEE1 (0.72) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed
WO-2024059808-A1 WEE1 INHIBITORS AND METHODS FOR TREATING CANCER RECURIUM IP HOLDINGS, LLC (US) 2024-03-21 WO disclosed