SCHEMBL1563500

SCHEMBL1563500

COCCNC(=O)c1cccc(-c2cc(C(=O)N[C@H]3CCCNC3)c(NC(N)=O)s2)c1

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.77
▸ CDK2AP1 O14519 8/20 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
SCHEMBL1564142 0.87 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1563787 0.85 CHEK1 (0.85) CHEK1CDK2AP1
SCHEMBL4212691 0.85 CHEK1 (0.79) CHEK1CDK2AP1
SCHEMBL27769058 0.84 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL1562811 0.84 CHEK1 (1.00) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4224413 0.84 CHEK1 (0.78) CHEK1CDK2AP1
SCHEMBL1563569 0.83 CHEK1 (0.85) CHEK1CDK2AP1
SCHEMBL4218714 0.82 CHEK1 (0.80) CHEK1CDK2AP1
SCHEMBL1564127 0.82 CHEK1 (1.00) CHEK1CDK2AP1
SCHEMBL4212769 0.82 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
Send feedback