SCHEMBL4706724

SCHEMBL4706724

COc1ccc(-c2cc(OC(=O)NC3CCNC3)c(NC(N)=O)s2)cc1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.55
▸ CDK2AP1 O14519 10/20 0.53

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
SCHEMBL4705785 1.00 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4703022 1.00 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4703464 0.95 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL4705590 0.95 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL4704584 0.95 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL4702677 0.94 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4702792 0.94 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL4702767 0.94 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL4704839 0.92 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4705052 0.87 CHEK1 (0.60) 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-1660474-B1 SUBSTITUTED THIOPHENES AND USES THEREOF ASTRAZENECA AB (SE) 2008-10-29 — — EP claimed
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