SCHEMBL13063541

SCHEMBL13063541

COc1cc(=O)n(C)c(Nc2ccc(Br)cc2F)c1NS(=O)(=O)C1CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
MAP2K1 Q02750 11/20 0.39
EGFR P00533 6/20 0.39
KDR P35968 6/20 0.39
FGFR1 P11362 5/20 0.39
FLT1 P17948 5/20 0.39
FLT4 P35916 5/20 0.39
PDGFRB P09619 2/20 0.39
TEK Q02763 2/20 0.39
RET P07949 2/20 0.39
KIF5B P33176 2/20 0.39
MAP2K2 P36507 2/20 0.39
KIT P10721 2/20 0.39
BMPR1B O00238 1/20 0.39
PLK4 O00444 1/20 0.39
CIT O14578 1/20 0.39
GAK O14976 1/20 0.39
EPHB6 O15197 1/20 0.39
RIPK2 O43353 1/20 0.39

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
SCHEMBL3807711 0.88 MAP2K1 (0.43) MAP2K1FLT1MAP2K2KITMAP2K5
SCHEMBL3807030 0.86 ALOX15 (0.41) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL3808781 0.86 MAP2K1 (0.42) MAP2K1FLT1MAP2K2MAP2K5
SCHEMBL3807054 0.86 MAP2K1 (0.38) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL13063528 0.85 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5BRPF1
SCHEMBL3809218 0.84 ALOX15 (0.42) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL3806191 0.84 MAP2K1 (0.48) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL13063605 0.84 ALOX15 (0.42) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL3808578 0.83 ALOX15 (0.39) ALOX15TSHRMAP2K1EGFRKDR
SCHEMBL13063826 0.82 EGFR (0.38) ALOX15TSHRMAP2K1EGFRKDR

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-2010145197-A1 NOVEL 6-ARYLAMINO PYRIDONE SULFONAMIDES AND 6-ARYLAMINO PYRAZINONE SULFONAMDIES AS MEK INHIBITORS CHEMIZON (BEIJING), LTD. (CN) 2010-12-23 WO disclosed