SCHEMBL1562875

SCHEMBL1562875

CC(C)(C)OC(=O)N1CCCC[C@H](NC(=O)c2cc(-c3ccccc3)sc2NC(=O)NC(=O)C(Cl)(Cl)Cl)C1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ USP30 Q70CQ3 5/20 0.57
▸ CHEK1 O14757 10/20 0.52
▸ ACKR3 P25106 1/20 0.46
▸ CDK2AP1 O14519 2/20 0.46
▸ PARP1 P09874 1/20 0.43
▸ ANO1 Q5XXA6 1/20 0.43
▸ PBK Q96KB5 1/20 0.43

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
SCHEMBL5554677 0.89 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL1563534 0.88 CHEK1 (0.68) USP30CHEK1CDK2AP1
SCHEMBL1563523 0.87 USP30 (0.63) USP30CHEK1ACKR3CDK2AP1PARP1
SCHEMBL27657374 0.85 CHEK1 (0.71) USP30CHEK1CDK2AP1PARP1
SCHEMBL1562834 0.85 CHEK1 (0.71) USP30CHEK1CDK2AP1PARP1
SCHEMBL1563863 0.84 USP30 (0.53) USP30CHEK1ACKR3CDK2AP1PARP1
SCHEMBL1564584 0.83 USP30 (0.64) USP30CHEK1ACKR3PARP1ANO1
SCHEMBL1562936 0.81 USP30 (0.55) USP30CHEK1ACKR3CDK2AP1PARP1
SCHEMBL5001062 0.81 CHEK1 (0.58) USP30CHEK1CDK2AP1
SCHEMBL1563670 0.81 USP30 (0.68) USP30CHEK1ACKR3PARP1ANO1

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
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
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