SCHEMBL4702670

SCHEMBL4702670

COc1ccc(-c2cc(C(=O)N[C@@H]3CCCN(OC(=O)OC(C)(C)C)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 20/20 0.57
▸ CDK2AP1 O14519 10/20 0.49

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
SCHEMBL4705745 1.00 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4707220 0.95 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4704593 0.92 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4704937 0.90 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4994947 0.87 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL4219757 0.87 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL5004721 0.87 CHEK1 (0.59) CHEK1CDK2AP1
SCHEMBL4702760 0.87 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4706732 0.87 CHEK1 (0.66) CHEK1CDK2AP1
SCHEMBL4702663 0.87 CHEK1 (0.66) 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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