SCHEMBL13672910

SCHEMBL13672910

Nc1ccc(-c2ccc(Nc3c(NS(=O)(=O)C4CC4)ccc(F)c3F)c(F)c2)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KIT P10721 1/20 0.42
ALOX5AP P20292 2/20 0.41
FEN1 P39748 2/20 0.41
SGK1 O00141 2/20 0.38
KIF11 P52732 1/20 0.38
KDM1A O60341 1/20 0.37
MAOA P21397 1/20 0.37
ACLY P53396 1/20 0.37
MAP2K1 Q02750 4/20 0.36
BRAF P15056 3/20 0.36
MAP2K2 P36507 3/20 0.36
CTPS1 P17812 5/20 0.35
CTPS2 Q9NRF8 1/20 0.33

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
SCHEMBL391735 0.91 KIT (0.48) KITALOX5APFEN1KIF11KDM1A
SCHEMBL13672516 0.91 KIT (0.39) KITALOX5APFEN1MAP2K1BRAF
SCHEMBL392187 0.90 ACLY (0.47) KITALOX5APFEN1ACLYMAP2K1
SCHEMBL388038 0.88 CKS1B (0.43) KITALOX5APFEN1KIF11BRAF
SCHEMBL391267 0.87 KIF11 (0.46) KITALOX5APFEN1SGK1KIF11
SCHEMBL392469 0.86 ACLY (0.40) KITALOX5APFEN1KIF11ACLY
SCHEMBL16015383 0.84 KIT (0.39) KITALOX5APFEN1ACLYBRAF
SCHEMBL387133 0.84 DHODH (0.42) KITALOX5APFEN1KIF11BRAF
SCHEMBL387927 0.83 MAP2K1 (0.44) KITMAP2K1BRAFMAP2K2
SCHEMBL391195 0.82 KIT (0.41) KITALOX5APFEN1BRAF

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
WO-2009129246-A2 COMPOSITIONS AND METHODS FOR PREPARING AND USING SAME ARDEA BIOSCIENCES, INC. (US) 2009-10-22 WO disclosed