SCHEMBL29613438

SCHEMBL29613438

Nc1cccc(Nc2ncc(Cl)c(-c3cn(S(=O)(=O)c4ccccc4)c4ccccc34)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EGFR P00533 10/20 0.51
▸ CCNT1 O60563 1/20 0.48
▸ CCNB2 O95067 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK1 P06493 1/20 0.48
▸ CCNB1 P14635 1/20 0.48
▸ CCNE1 P24864 1/20 0.48
▸ CDK2 P24941 1/20 0.48
▸ CDK9 P50750 1/20 0.48
▸ CDK5 Q00535 1/20 0.48
▸ CDK5R1 Q15078 1/20 0.48
▸ CCNB3 Q8WWL7 1/20 0.48
▸ HTR6 P50406 6/20 0.48
▸ DRD2 P14416 4/20 0.48
▸ HTR2A P28223 3/20 0.48
▸ HTR7 P34969 3/20 0.48
▸ HTR1A P08908 1/20 0.46
▸ CA12 O43570 1/20 0.44
▸ CA1 P00915 1/20 0.44
▸ CA2 P00918 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
SCHEMBL16665592 1.00 EGFR (0.51) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL15648478 0.89 EGFR (0.47) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL29613463 0.87 CDK7 (0.55) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL15649053 0.87 CDK7 (0.55) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL17141040 0.87 CDK7 (0.48) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL27223018 0.86 EGFR (0.48) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL29613470 0.86 EGFR (0.48) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL30886756 0.86 EGFR (0.48) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL17141301 0.84 CDK7 (0.52) EGFRCCNT1CCNB2CCNE2CDK1
SCHEMBL18074097 0.84 CDK7 (0.56) EGFRCCNT1CCNB2CCNE2CDK1

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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