SCHEMBL4705770

SCHEMBL4705770

COc1ccc(-c2cc(OC(=O)N[C@H]3CCCCNC3)c(NC(=O)Nc3cnccn3)s2)cc1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 19/20 0.45
▸ KDM4E B2RXH2 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CDK2AP1 O14519 11/20 0.42

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
SCHEMBL4703840 0.95 KDM4E (0.45) CHEK1KDM4EPOLBCDK2AP1
SCHEMBL4706363 0.90 KDM4E (0.46) CHEK1KDM4EPOLB
SCHEMBL5784504 0.89 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4209769 0.89 CHEK1 (0.55) CHEK1CDK2AP1
Hydrochloric Acid SCHEMBL4221917 0.88 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4704507 0.86 CHEK1 (0.60) CHEK1CDK2AP1
SCHEMBL4702792 0.83 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL4702767 0.83 CHEK1 (0.58) CHEK1CDK2AP1
SCHEMBL4705874 0.83 CHEK1 (0.59) CHEK1KDM4ECDK2AP1
SCHEMBL4210074 0.83 CHEK1 (0.54) CHEK1KDM4EPOLBCDK2AP1

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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