SCHEMBL29129070

SCHEMBL29129070

CNC/C=C/C(=O)Nc1ccc(C(=O)N2CCC[C@@H](Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)C2)cc1

nearest known ligand 0.86

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CDK7 P50613 17/20 0.86
▸ CCNH P51946 17/20 0.86
▸ CCNK O75909 16/20 0.86
▸ CDK9 P50750 16/20 0.86
▸ CDK2 P24941 16/20 0.86
▸ CDK12 Q9NYV4 15/20 0.86
▸ CCNT1 O60563 15/20 0.86
▸ CDK13 Q14004 14/20 0.86
▸ CCNA2 P20248 14/20 0.86
▸ MNAT1 P51948 9/20 0.86
▸ CDK3 Q00526 1/20 0.86
▸ JUN P05412 2/20 0.66
▸ MAPK8 P45983 2/20 0.66
▸ MAPK9 P45984 2/20 0.66
▸ MAPK10 P53779 2/20 0.66

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
SCHEMBL16655250 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL29392974 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL29434977 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16655252 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16664894 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16655251 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16655248 0.92 CDK7 (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL21561657 0.92 CCNK (0.83) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16655115 0.89 CCNK (1.00) CDK7CCNHCCNKCDK9CDK2
SCHEMBL16655118 0.89 CCNK (1.00) CDK7CCNHCCNKCDK9CDK2

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 3 patents. 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
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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