SCHEMBL4706485

SCHEMBL4706485

CCN(CC)CCOc1ccc(-c2cc(C(=O)NC3CCCN(C(=O)O)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.72
▸ 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
SCHEMBL4208380 1.00 CHEK1 (0.72) CHEK1CDK2AP1
SCHEMBL4216335 1.00 CHEK1 (0.72) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4216009 0.96 CHEK1 (0.67) CHEK1CDK2AP1
Trifluoroacetic Acid SCHEMBL4211656 0.96 CHEK1 (0.67) CHEK1CDK2AP1
SCHEMBL4705891 0.93 CHEK1 (0.73) CHEK1CDK2AP1
SCHEMBL4206504 0.92 CHEK1 (0.60) CHEK1CDK2AP1
SCHEMBL4997512 0.91 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL5007408 0.91 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4211991 0.91 CHEK1 (0.68) CHEK1CDK2AP1
SCHEMBL4214970 0.90 CHEK1 (0.57) 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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