SCHEMBL27780564

SCHEMBL27780564

C=CCNc1c([N+](=O)[O-])cc(C(=O)O)c(Nc2ccc(I)cc2F)c1F

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.53
MAP2K2 P36507 7/20 0.53
HCAR3 P49019 1/20 0.47
IDO1 P14902 1/20 0.45
AURKA O14965 4/20 0.45
TNFRSF1A P19438 4/20 0.45
MAP3K9 P80192 3/20 0.45
KDR P35968 2/20 0.45
SRC P12931 3/20 0.44
PRKCB P05771 1/20 0.44
STK3 Q13188 1/20 0.44
ABL1 P00519 2/20 0.43
LCK P06239 2/20 0.43
CLK1 P49759 2/20 0.43
FGFR1 P11362 1/20 0.42
EPHA2 P29317 1/20 0.42
BTK Q06187 1/20 0.42

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
SCHEMBL1341039 0.90 MAP2K1 (0.46) MAP2K1MAP2K2HCAR3
SCHEMBL1340714 0.86 MAP2K1 (0.64) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL27802007 0.84 MAP2K1 (0.57) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL6035272 0.77 MAP2K1 (0.64) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL14590736 0.77 KMT2A (0.43) MAP2K1MAP2K2HCAR3IDO1AURKA
SCHEMBL14590721 0.75 MAP2K1 (0.49) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL14590718 0.75 MAP2K1 (0.46) MAP2K1MAP2K2HCAR3IDO1AURKA
SCHEMBL1343547 0.74 MAP2K1 (0.51) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL1342897 0.74 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL1562726 0.74 MAP2K1 (0.65) MAP2K1MAP2K2IDO1AURKATNFRSF1A

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
CN-101663279-A inhibitors of mek ARDEA BIOSCIENCES INC (US) 2010-03-03 CN disclosed