SCHEMBL1564575

SCHEMBL1564575

CC(C)(C)OC(=O)N1CCC[C@H](NC(=O)c2sc(-c3ccc(Cl)cc3)cc2NC(N)=O)C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 2/20 0.55
▸ CNR1 P21554 1/20 0.54
▸ CNR2 P34972 1/20 0.54
▸ CHEK1 O14757 12/20 0.53
▸ ANO1 Q5XXA6 2/20 0.50
▸ MELK Q14680 3/20 0.47
▸ PLK4 O00444 1/20 0.47
▸ GAK O14976 1/20 0.47
▸ JAK2 O60674 1/20 0.47
▸ ULK1 O75385 1/20 0.47
▸ RPS6KA4 O75676 1/20 0.47
▸ STK10 O94804 1/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ MAP4K4 O95819 1/20 0.47
▸ PAK4 O96013 1/20 0.47
▸ ABL1 P00519 1/20 0.47
▸ EGFR P00533 1/20 0.47
▸ LCK P06239 1/20 0.47
▸ FYN P06241 1/20 0.47
▸ FES P07332 1/20 0.47

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
SCHEMBL31532576 0.91 USP30 (0.52) USP30CNR1CNR2CHEK1MELK
SCHEMBL31532583 0.91 USP30 (0.52) USP30CNR1CNR2CHEK1MELK
SCHEMBL31532608 0.90 USP30 (0.56) USP30CNR1CNR2CHEK1MELK
SCHEMBL31532687 0.89 CHEK1 (0.62) USP30CHEK1MELKPLK4GAK
SCHEMBL31532635 0.89 USP30 (0.58) USP30CHEK1MELKPLK4GAK
SCHEMBL12649363 0.89 CHEK1 (0.62) USP30CHEK1MELKPLK4GAK
SCHEMBL31532629 0.89 USP30 (0.58) USP30CHEK1MELKPLK4GAK
SCHEMBL31532526 0.89 USP30 (0.58) USP30CHEK1MELKPLK4GAK
SCHEMBL31532594 0.88 USP30 (0.51) USP30CHEK1MELKPLK4GAK
SCHEMBL1564849 0.88 CNR1 (0.57) USP30CNR1CNR2ANO1PARP1

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
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
CN-1922172-A Substituted heterocyclic compounds and uses thereof ASTRAZENECA AB (SE) 2007-02-28 — — CN disclosed
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