SCHEMBL29613456

SCHEMBL29613456

CC(C)(C)OC(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4cn(S(=O)(=O)c5ccccc5)c5ccccc45)n3)c2)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 15/20 0.57
▸ CCNH P51946 13/20 0.57
▸ CDK13 Q14004 2/20 0.48
▸ CDK12 Q9NYV4 2/20 0.48
▸ CDK1 P06493 2/20 0.48
▸ CDK2 P24941 2/20 0.48
▸ CDK9 P50750 2/20 0.48
▸ MNAT1 P51948 2/20 0.48
▸ CDK5 Q00535 2/20 0.48
▸ CCNT1 O60563 1/20 0.48
▸ CCNK O75909 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNA2 P20248 1/20 0.48
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ MAP3K11 Q16584 1/20 0.48
▸ EGFR P00533 3/20 0.44
▸ CDK8 P49336 1/20 0.43
▸ JAK1 P23458 1/20 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
SCHEMBL29129122 1.00 CDK7 (0.57) CDK7CCNHCDK13CDK12CDK1
SCHEMBL15647663 0.90 CDK7 (0.48) CDK7CCNHCDK13CDK12CDK1
SCHEMBL15648388 0.89 CDK7 (0.44) CDK7CCNHCDK13CDK12CDK1
SCHEMBL15648037 0.88 CDK7 (0.43) CDK7CCNHCDK13CDK12CDK1
SCHEMBL15649053 0.87 CDK7 (0.55) CDK7CCNHCDK13CDK12CDK1
SCHEMBL29613463 0.87 CDK7 (0.55) CDK7CCNHCDK13CDK12CDK1
SCHEMBL16655025 0.87 MET (0.51) CDK7CCNHEGFRHTR6
SCHEMBL16655391 0.86 ABL1 (0.48) CDK7CCNHEGFRHTR6
SCHEMBL24510839 0.85 CDK7 (0.67) CDK7CCNHCDK13CDK12CDK1
SCHEMBL19054637 0.85 HTR6 (0.43) CDK7CCNHCDK1CDK2CDK9

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259133-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2023-10-18 — — EP disclosed
WO-2022126000-A1 METHODS AND COMPOUNDS FOR MODULATING MYOTONIC DYSTROPHY 1 Design Therapeutics, Inc. (US) 2022-06-16 — — WO disclosed
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