SCHEMBL29129078

SCHEMBL29129078

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

nearest known ligand 0.66

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 19/20 0.66
▸ CCNH P51946 19/20 0.66
▸ CDK5 Q00535 3/20 0.56
▸ CDK1 P06493 2/20 0.56
▸ CDK2 P24941 2/20 0.56
▸ CDK9 P50750 2/20 0.56
▸ MNAT1 P51948 2/20 0.56
▸ CDK5R1 Q15078 2/20 0.56
▸ MAP3K11 Q16584 2/20 0.56
▸ CCNT1 O60563 1/20 0.56
▸ CCNK O75909 1/20 0.56
▸ CCNB1 P14635 1/20 0.56
▸ CCNA2 P20248 1/20 0.56
▸ MAPK8 P45983 1/20 0.56
▸ MAPK9 P45984 1/20 0.56
▸ CDK13 Q14004 1/20 0.56
▸ CDK12 Q9NYV4 1/20 0.56
▸ CDK8 P49336 1/20 0.51

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
SCHEMBL29613431 1.00 CDK7 (0.66) CDK7CCNHCDK5CDK1CDK2
SCHEMBL24510839 0.93 CDK7 (0.67) CDK7CCNHCDK5CDK1CDK2
SCHEMBL24510838 0.91 CDK7 (0.65) CDK7CCNHCDK5CDK1CDK2
SCHEMBL15649053 0.86 CDK7 (0.55) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29613463 0.86 CDK7 (0.55) CDK7CCNHCDK5CDK1CDK2
SCHEMBL17150571 0.85 CDK7 (0.70) CDK7CCNHCDK5CDK1CDK2
SCHEMBL19024448 0.85 CDK7 (0.70) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29129122 0.84 CDK7 (0.57) CDK7CCNHCDK5CDK1CDK2
SCHEMBL29613456 0.84 CDK7 (0.57) CDK7CCNHCDK5CDK1CDK2
SCHEMBL17141301 0.83 CDK7 (0.52) CDK7CCNHCDK5CDK1CDK2

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
CN-117279636-A Methods and compounds for modulating myotonic muscular dystrophy type 1 设计治疗公司 2023-12-22 — — CN disclosed
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