SCHEMBL23770767

SCHEMBL23770767

CC(C)c1ccccc1-c1nc(NSc2ccc(N)nc2)ccc1Cl

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.34
FEN1 P39748 1/20 0.34
ATR Q13535 1/20 0.32
USP1 O94782 1/20 0.31
WDR48 Q8TAF3 1/20 0.31
KDM4E B2RXH2 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TRPA1 O75762 1/20 0.31
PIP4K2C Q8TBX8 1/20 0.30
MAPK14 Q16539 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 0.86 ADORA2A (0.33) ALOX5APFEN1KDM4EHSD17B10MAPK14
SCHEMBL23770545 0.81 DHFR (0.30)
SCHEMBL23770577 0.80 CDK9 (0.33) ALOX5APFEN1
SCHEMBL23770438 0.79 KDM4E (0.34) KDM4EHSD17B10
SCHEMBL29464490 0.77 PSMB1 (0.37) ALOX5APFEN1KDM4EHSD17B10
SCHEMBL19925123 0.77 PSMB1 (0.37) ALOX5APFEN1KDM4EHSD17B10
SCHEMBL23770641 0.76 ABL1 (0.41)
SCHEMBL23770703 0.76 ABL1 (0.35) KDM4EHSD17B10
SCHEMBL23770696 0.74 GAA (0.32) KDM4EHSD17B10
SCHEMBL23770695 0.70 CYP1A2 (0.34) KDM4E

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