SCHEMBL23770577

SCHEMBL23770577

Nc1ccc(SNc2ccc(Cl)c(-c3ccccc3C3CC3)n2)cn1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CDK9 P50750 5/20 0.33
CCNT1 O60563 4/20 0.33
ALOX5AP P20292 2/20 0.31
FEN1 P39748 2/20 0.31
ABL1 P00519 1/20 0.30

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
SCHEMBL23770777 0.83 ADORA2A (0.33) ALOX5APFEN1
SCHEMBL23770609 0.82 CCNT1 (0.32) CDK9CCNT1
SCHEMBL23770767 0.80 ALOX5AP (0.34) ALOX5APFEN1
SCHEMBL23770438 0.78 KDM4E (0.34)
SCHEMBL19925745 0.78 PIK3CG (0.36)
SCHEMBL29464316 0.78 PIK3CG (0.36)
SCHEMBL23770696 0.74 GAA (0.32) ABL1
SCHEMBL23770389 0.73 SCN9A (0.33) CDK9CCNT1
SCHEMBL23770641 0.73 ABL1 (0.41) ABL1
SCHEMBL23770703 0.73 ABL1 (0.35) CCNT1ABL1

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
EP-3504194-B1 N-(PYRIDIN-2-YL)PYRIDINE-SULFONAMIDE DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE NOVARTIS AG (CH) 2021-08-18 EP disclosed