SCHEMBL1563712

SCHEMBL1563712

COc1c(F)cc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)cc1F

nearest known ligand 0.76

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.76
▸ CDK2AP1 O14519 7/20 0.72

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
SCHEMBL1563742 0.90 CHEK1 (0.83) CHEK1CDK2AP1
SCHEMBL1563784 0.89 CHEK1 (0.82) CHEK1CDK2AP1
SCHEMBL1562986 0.88 CHEK1 (0.80) CHEK1CDK2AP1
SCHEMBL1563791 0.87 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1564487 0.86 CHEK1 (0.70) CHEK1CDK2AP1
SCHEMBL1563593 0.86 CHEK1 (0.82) CHEK1CDK2AP1
SCHEMBL1563998 0.85 CHEK1 (0.78) CHEK1CDK2AP1
SCHEMBL4212769 0.85 CHEK1 (0.81) CHEK1CDK2AP1
SCHEMBL4213799 0.85 CHEK1 (0.81) CHEK1CDK2AP1
SCHEMBL4213625 0.85 CHEK1 (0.81) 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 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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