SCHEMBL29613463

SCHEMBL29613463

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 10/20 0.55
▸ CCNH P51946 8/20 0.55
▸ CDK1 P06493 3/20 0.46
▸ CDK2 P24941 3/20 0.46
▸ CDK9 P50750 3/20 0.46
▸ CDK5 Q00535 3/20 0.46
▸ CDK13 Q14004 2/20 0.46
▸ CDK12 Q9NYV4 2/20 0.46
▸ MNAT1 P51948 2/20 0.46
▸ CCNT1 O60563 2/20 0.46
▸ CCNB1 P14635 2/20 0.46
▸ CDK5R1 Q15078 2/20 0.46
▸ CCNK O75909 1/20 0.46
▸ CCNA2 P20248 1/20 0.46
▸ MAPK8 P45983 1/20 0.46
▸ MAPK9 P45984 1/20 0.46
▸ MAP3K11 Q16584 1/20 0.46
▸ EGFR P00533 4/20 0.45
▸ JAK1 P23458 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44

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
SCHEMBL15649053 1.00 CDK7 (0.55) CDK7CCNHCDK1CDK2CDK9
SCHEMBL17141301 0.93 CDK7 (0.52) CDK7CCNHCDK1CDK2CDK9
SCHEMBL17141040 0.92 CDK7 (0.48) CDK7CCNHCDK1CDK2CDK9
SCHEMBL17022831 0.89 CDK7 (0.47) CDK7CCNHEGFRJAK1HDAC1
SCHEMBL15648499 0.89 CDK5 (0.47) CDK7CCNHCDK1CDK2CDK9
SCHEMBL15648076 0.88 HTR6 (0.44) CDK7CCNHHTR6DRD2HTR2A
SCHEMBL29129122 0.87 CDK7 (0.57) CDK7CCNHCDK1CDK2CDK9
SCHEMBL29613456 0.87 CDK7 (0.57) CDK7CCNHCDK1CDK2CDK9
SCHEMBL16665592 0.87 EGFR (0.51) CDK7CCNHCDK1CDK2CDK9
SCHEMBL29613438 0.87 EGFR (0.51) 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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