SCHEMBL31557008

SCHEMBL31557008

CN(C)C1CCN(c2ccc(Nc3ncc4c(n3)N3CCN=C3N(c3c(F)cccc3Cl)C4=O)cc2F)CC1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ WEE1 P30291 11/20 0.77
▸ JAK2 O60674 5/20 0.46
▸ BRD4 O60885 5/20 0.46
▸ PIK3CD O00329 3/20 0.44
▸ CSF1R P07333 3/20 0.44
▸ CDK4 P11802 3/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ JAK1 P23458 2/20 0.43
▸ BRD2 P25440 2/20 0.43
▸ JAK3 P52333 2/20 0.43
▸ BRD3 Q15059 2/20 0.43
▸ BRDT Q58F21 2/20 0.43
▸ CCNK O75909 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CDK7 P50613 1/20 0.42
▸ CDK9 P50750 1/20 0.42
▸ CCNH P51946 1/20 0.42
▸ CDK5 Q00535 1/20 0.42
▸ CDK5R1 Q15078 1/20 0.42

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
SCHEMBL21373449 1.00 WEE1 (0.77) WEE1JAK2BRD4PIK3CDCSF1R
SCHEMBL21373402 0.96 WEE1 (0.75) WEE1TNK2
SCHEMBL31557170 0.96 WEE1 (0.75) WEE1TNK2
SCHEMBL21373421 0.94 WEE1 (0.79) WEE1JAK2CSF1RTNK2
SCHEMBL29859559 0.94 WEE1 (0.79) WEE1JAK2CSF1RTNK2
SCHEMBL21373339 0.94 WEE1 (0.72) WEE1JAK2BRD4TNK2
SCHEMBL31557243 0.94 WEE1 (0.72) WEE1JAK2BRD4TNK2
SCHEMBL31556915 0.91 WEE1 (0.76) WEE1TNK2
SCHEMBL21373428 0.91 WEE1 (0.76) WEE1TNK2
SCHEMBL21373343 0.91 WEE1 (0.75) WEE1

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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