SCHEMBL1563810

SCHEMBL1563810

NC(=O)Nc1sc(-c2ccc(C(=O)N3CCCCC3)cc2)cc1C(=O)N[C@H]1CCCNC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 1.00
▸ CDK2AP1 O14519 11/20 1.00

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
SCHEMBL1564631 0.99 CHEK1 (0.98) CHEK1CDK2AP1
SCHEMBL1564756 0.92 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1564672 0.92 CHEK1 (0.86) CHEK1CDK2AP1
SCHEMBL1564042 0.88 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL1563738 0.88 CHEK1 (0.85) CHEK1CDK2AP1
SCHEMBL1563480 0.88 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1564717 0.87 CHEK1 (0.87) CHEK1CDK2AP1
SCHEMBL1564705 0.87 CHEK1 (0.77) CHEK1CDK2AP1
SCHEMBL1564904 0.86 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1564152 0.85 CHEK1 (1.00) 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-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP claimed
EP-2305671-A1 Thiophene and thiazole derivatives as CHK1 inhibitors AstraZeneca AB (SE) 2011-04-06 — — EP disclosed
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