SCHEMBL31557243

SCHEMBL31557243

CN(C)C1CCN(c2ccc(Nc3ncc4c(n3)N3CCN=C3N(c3c(F)cccc3Cl)C4=O)cc2Br)CC1

nearest known ligand 0.72

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 16/20 0.72
▸ TNK2 Q07912 1/20 0.41
▸ JAK2 O60674 2/20 0.40
▸ BRD4 O60885 2/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL21373339 1.00 WEE1 (0.72) WEE1TNK2JAK2BRD4EGFR
SCHEMBL31557265 0.95 WEE1 (0.72) WEE1TNK2EGFR
SCHEMBL21373422 0.95 WEE1 (0.72) WEE1TNK2EGFR
SCHEMBL21373402 0.95 WEE1 (0.75) WEE1TNK2EGFR
SCHEMBL31557170 0.95 WEE1 (0.75) WEE1TNK2EGFR
SCHEMBL21373449 0.94 WEE1 (0.77) WEE1TNK2JAK2BRD4
SCHEMBL31557008 0.94 WEE1 (0.77) WEE1TNK2JAK2BRD4
SCHEMBL21373421 0.93 WEE1 (0.79) WEE1TNK2JAK2EGFR
SCHEMBL29859559 0.93 WEE1 (0.79) WEE1TNK2JAK2EGFR
SCHEMBL21373401 0.90 WEE1 (0.69) WEE1TNK2EGFR

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-2025074275-A1 COMBINATION THERAPIES INCLUDING MYT1 INHIBITORS AND WEE1 INHIBITORS REPARE THERAPEUTICS, INC. (CA) 2025-04-10 — — WO disclosed
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