SCHEMBL6015288

SCHEMBL6015288

NC(=O)Nc1sc(-c2ccncc2)cc1C(=O)N1CCCCC(NC(=O)O)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.61
▸ CDK2AP1 O14519 5/20 0.57

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
SCHEMBL5556370 1.00 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL1564542 0.87 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL1564548 0.87 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL1562842 0.81 CHEK1 (0.56) CHEK1CDK2AP1
SCHEMBL5554681 0.79 CHEK1 (0.76) CHEK1CDK2AP1
SCHEMBL1563818 0.79 CHEK1 (0.82) CHEK1CDK2AP1
SCHEMBL1563815 0.79 CHEK1 (0.82) CHEK1CDK2AP1
SCHEMBL1564480 0.79 CHEK1 (0.82) CHEK1CDK2AP1
SCHEMBL1564950 0.77 CHEK1 (0.72) CHEK1CDK2AP1
SCHEMBL1564946 0.77 CHEK1 (0.72) CHEK1CDK2AP1

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-1732920-A2 THIOPHENE DERIVATIVES AS CHK 1 INHIBITORS AstraZeneca AB (SE) 2006-12-20 — — EP disclosed
WO-2005066163-A2 THIOPHENE DERIVATIVES AS CHK 1 INIHIBITORS ASTRAZENECA AB (SE) 2005-07-21 — — WO disclosed
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