SCHEMBL4704628

SCHEMBL4704628

COc1ccc(-c2cc(OC(=O)NC3CC(C)(C)NC(C)(C)C3)c(NC(N)=O)s2)cc1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CHEK1 O14757 9/20 0.52
▸ IKBKB O14920 2/20 0.45
▸ ATM Q13315 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ EZH2 Q15910 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ PKM P14618 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CDK2AP1 O14519 1/20 0.39
▸ USP2 O75604 1/20 0.38

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
SCHEMBL4704839 0.87 CHEK1 (0.55) CHEK1IKBKBCDK2AP1
SCHEMBL4208186 0.86 CHEK1 (0.63) CHEK1ATML3MBTL1CDK2AP1
SCHEMBL4702677 0.85 CHEK1 (0.55) CHEK1IKBKBCDK2AP1
SCHEMBL4706724 0.83 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4703022 0.83 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4705785 0.83 CHEK1 (0.55) CHEK1CDK2AP1
SCHEMBL4704773 0.82 CHEK1 (0.53) CHEK1IKBKB
SCHEMBL4703464 0.82 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL4704584 0.82 CHEK1 (0.61) CHEK1CDK2AP1
SCHEMBL4705590 0.82 CHEK1 (0.61) 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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