SCHEMBL23770600

SCHEMBL23770600

CC(C)c1ccccc1-c1nc(NSc2cccc(N)n2)ccc1F

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 1/20 0.35
FEN1 P39748 1/20 0.35
ATR Q13535 1/20 0.31
USP1 O94782 1/20 0.30
WDR48 Q8TAF3 1/20 0.30
DHFR P00374 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
SCHEMBL23770545 0.87 DHFR (0.30) DHFR
SCHEMBL23770595 0.86 ADORA2A (0.35) ALOX5APFEN1
SCHEMBL23770761 0.86 TRPA1 (0.34)
SCHEMBL23770571 0.79 NOS3 (0.33)
SCHEMBL23770624 0.78
SCHEMBL19968769 0.76 SCN1A (0.39) ALOX5APFEN1
SCHEMBL29464501 0.76 SCN1A (0.39) ALOX5APFEN1
SCHEMBL23770415 0.76 ADORA2A (0.34)
SCHEMBL23770575 0.75 ADORA2A (0.37)
SCHEMBL23770676 0.72 ADORA2A (0.35)

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