SCHEMBL31557053

SCHEMBL31557053

CC(=O)N1CCN(c2ccc(Nc3ncc4c(n3)N3CCN=C3N(c3c(F)cccc3Cl)C4=O)cc2)CC1

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 16/20 0.57
▸ ALK Q9UM73 1/20 0.51
▸ EGFR P00533 2/20 0.47
▸ AXL P30530 1/20 0.46

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
SCHEMBL29506461 1.00 WEE1 (0.57) WEE1ALKEGFRAXL
SCHEMBL21373408 1.00 WEE1 (0.57) WEE1ALKEGFRAXL
SCHEMBL21373346 0.92 WEE1 (0.65) WEE1ALK
SCHEMBL29506474 0.92 WEE1 (0.65) WEE1ALK
SCHEMBL21373276 0.89 WEE1 (0.59) WEE1
SCHEMBL21373363 0.89 WEE1 (0.61) WEE1
SCHEMBL29506442 0.89 WEE1 (0.61) WEE1
SCHEMBL29506465 0.89 WEE1 (0.59) WEE1
SCHEMBL31557303 0.87 WEE1 (0.75) WEE1AXL
SCHEMBL21373343 0.87 WEE1 (0.75) WEE1AXL

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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