SCHEMBL4704937

SCHEMBL4704937

COc1ccc(-c2cc(C(=O)NC3CCN(OC(=O)OC(C)(C)C)CC3)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 4/20 0.47

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
SCHEMBL4707220 0.95 CHEK1 (0.53) CHEK1CDK2AP1
SCHEMBL4706306 0.93 CHEK1 (0.54) CHEK1CDK2AP1
SCHEMBL4704593 0.91 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4705745 0.90 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4702670 0.90 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL4213197 0.88 CHEK1 (0.57) CHEK1CDK2AP1
SCHEMBL5001091 0.85 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4208325 0.85 CHEK1 (0.64) CHEK1CDK2AP1
SCHEMBL4702638 0.84 KDM4E (0.42) CHEK1CDK2AP1
SCHEMBL4705817 0.83 CHEK1 (0.62) 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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