SCHEMBL29129146

SCHEMBL29129146

O=[N+]([O-])c1cccc(Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 4/20 0.65
CDK1 P06493 4/20 0.55
KDR P35968 2/20 0.55
CDK7 P50613 11/20 0.53
CCNH P51946 9/20 0.53
CDK9 P50750 7/20 0.53
CDK2 P24941 6/20 0.53
MNAT1 P51948 5/20 0.53
CDK5 Q00535 3/20 0.53
CDK8 P49336 1/20 0.53
CDK12 Q9NYV4 7/20 0.52
CCNT1 O60563 6/20 0.52
CCNK O75909 6/20 0.52
CDK5R1 Q15078 2/20 0.52
MAP3K11 Q16584 2/20 0.52
CDK13 Q14004 2/20 0.52
CCNB1 P14635 1/20 0.52
CCNA2 P20248 1/20 0.52
MAPK8 P45983 1/20 0.52
MAPK9 P45984 1/20 0.52

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
SCHEMBL20204774 0.83 EGFR (0.67) EGFRCDK1KDRCDK7CCNH
SCHEMBL29613510 0.83 EGFR (0.67) EGFRCDK1KDRCDK7CCNH
SCHEMBL17150617 0.82 EGFR (0.72) EGFRCDK1KDRCDK7CCNH
SCHEMBL4513070 0.81 ABL1 (0.64) EGFRCDK1CDK7CCNHCDK9
SCHEMBL23624997 0.79 EGFR (0.62) EGFRCDK1KDRCDK7CCNH
SCHEMBL18078641 0.79 EGFR (0.75) EGFRCDK1KDRCDK7CCNH
SCHEMBL18078646 0.78 EGFR (0.73) EGFRCDK1KDRCDK7CCNH
SCHEMBL30524068 0.78 EGFR (0.66) EGFRCDK1KDRCDK7CCNH
SCHEMBL25328688 0.77 EGFR (0.63) EGFRCDK1KDRCDK7CCNH
SCHEMBL24900623 0.77 CDK1 (0.60) EGFRCDK1KDRCDK7CCNH

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