SCHEMBL29613464

SCHEMBL29613464

CNC/C=C/C(=O)Nc1ccc(C(=O)Nc2cccc(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)c2)cc1

nearest known ligand 0.84

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CDK7 P50613 17/20 0.84
CCNH P51946 16/20 0.84
CDK5 Q00535 4/20 0.84
CDK5R1 Q15078 3/20 0.84
CDK1 P06493 2/20 0.84
CDK2 P24941 2/20 0.84
CDK9 P50750 2/20 0.84
MNAT1 P51948 2/20 0.84
CDK13 Q14004 2/20 0.84
CDK12 Q9NYV4 2/20 0.84
MAP3K11 Q16584 2/20 0.84
CCNT1 O60563 1/20 0.84
CCNK O75909 1/20 0.84
CCNB1 P14635 1/20 0.84
CCNA2 P20248 1/20 0.84
MAPK8 P45983 1/20 0.84
MAPK9 P45984 1/20 0.84
CDK8 P49336 1/20 0.76
EGFR P00533 1/20 0.68

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
SCHEMBL29129160 1.00 CDK7 (0.84) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL23682983 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29434968 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL29355500 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL14979765 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL18229934 0.91 CDK7 (1.00) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL20204769 0.91 CDK7 (0.81) CDK7CCNHCDK5CDK5R1CDK1
Hydrochloric Acid SCHEMBL29867414 0.91 CDK7 (0.99) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL24510190 0.90 CDK7 (0.90) CDK7CCNHCDK5CDK5R1CDK1
SCHEMBL24510773 0.89 CDK7 (0.87) CDK7CCNHCDK5CDK5R1CDK1

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