SCHEMBL27802007

SCHEMBL27802007

C=CCNc1c(N)cc(C(=O)O)c(Nc2ccc(I)cc2F)c1F

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.57
MAP2K2 P36507 9/20 0.57
AURKA O14965 4/20 0.48
TNFRSF1A P19438 4/20 0.48
SRC P12931 3/20 0.48
PRKCB P05771 1/20 0.48
STK3 Q13188 1/20 0.48
IDO1 P14902 1/20 0.48
MAP3K9 P80192 3/20 0.46
KDR P35968 2/20 0.46
ABL1 P00519 2/20 0.45
LCK P06239 2/20 0.45
CLK1 P49759 2/20 0.45
FGFR1 P11362 1/20 0.45
EPHA2 P29317 1/20 0.45
BTK Q06187 1/20 0.45
PIM1 P11309 1/20 0.43
CAMK2B Q13554 1/20 0.43
BRAF P15056 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL1342897 0.89 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL27780564 0.84 MAP2K1 (0.53) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1562726 0.77 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL31130095 0.77 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL4860159 0.76 MAP2K1 (0.75) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1563236 0.74 MAP2K1 (0.65) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1562941 0.74 MAP2K1 (0.59) MAP2K1MAP2K2AURKATNFRSF1ASRC
SCHEMBL1341039 0.74 MAP2K1 (0.46) MAP2K1MAP2K2PIM1CAMK2BBRAF
SCHEMBL30505247 0.73 MAP2K1 (1.00) MAP2K1MAP2K2IDO1PIM1CAMK2B
SCHEMBL188505 0.73 MAP2K1 (1.00) MAP2K1MAP2K2IDO1PIM1CAMK2B

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