SCHEMBL29613470

SCHEMBL29613470

O=[N+]([O-])c1cccc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 5/20 0.48
▸ TNFSF11 O14788 2/20 0.45
▸ CDK2 P24941 6/20 0.45
▸ CCNT1 O60563 4/20 0.45
▸ CCNE1 P24864 4/20 0.45
▸ CDK9 P50750 4/20 0.45
▸ CCNE2 O96020 2/20 0.45
▸ CDK5 Q00535 2/20 0.44
▸ CDK5R1 Q15078 2/20 0.44
▸ CCNA2 P20248 1/20 0.44
▸ CDK1 P06493 3/20 0.43
▸ CCNB1 P14635 3/20 0.43
▸ CCNB2 O95067 1/20 0.43
▸ CCNB3 Q8WWL7 1/20 0.43
▸ CDK4 P11802 3/20 0.43
▸ SLC2A1 P11166 1/20 0.43
▸ GSK3B P49841 1/20 0.43
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42

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
SCHEMBL27223018 1.00 EGFR (0.48) EGFRTNFSF11CDK2CCNT1CCNE1
SCHEMBL15647363 0.91 EGFR (0.45) EGFRTNFSF11CDK2CCNT1CCNE1
SCHEMBL16665592 0.86 EGFR (0.51) EGFRCDK2CCNT1CCNE1CDK9
SCHEMBL29613438 0.86 EGFR (0.51) EGFRCDK2CCNT1CCNE1CDK9
SCHEMBL16655389 0.86 EGFR (0.48) EGFRCDK2CCNT1CCNE1CDK9
SCHEMBL29174622 0.84 EGFR (0.45) EGFRCDK9POLBALDH1A1KMT2A
SCHEMBL29174730 0.83 EGFR (0.46) EGFRCDK1KMT2ACA12CA1
SCHEMBL15648478 0.83 EGFR (0.47) EGFRCDK2CCNT1CCNE1CDK9
SCHEMBL29174579 0.82 EGFR (0.43) EGFRTNFSF11CDK2CCNT1CCNE1
SCHEMBL29174659 0.82 EGFR (0.45) EGFRCDK9CA12CA1CA2

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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