SCHEMBL29413530

SCHEMBL29413530

Cc1cnnc2c(F)c(Nc3ccc(I)cc3F)c(C(=O)O)cc12

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 0.57
MAP2K2 P36507 8/20 0.57
IDO1 P14902 1/20 0.56
AURKA O14965 4/20 0.46
TNFRSF1A P19438 4/20 0.46
MAP3K9 P80192 3/20 0.46
KDR P35968 2/20 0.46
SRC P12931 3/20 0.44
PRKCB P05771 1/20 0.44
STK3 Q13188 1/20 0.44
ABL1 P00519 2/20 0.42
LCK P06239 2/20 0.42
CLK1 P49759 2/20 0.42
PIM1 P11309 1/20 0.41
CAMK2B Q13554 1/20 0.41
FGFR1 P11362 1/20 0.41
EPHA2 P29317 1/20 0.41
BTK Q06187 1/20 0.41

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
SCHEMBL1488199 1.00 MAP2K1 (0.57) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1488245 0.88 MAP2K1 (0.53) MAP2K1MAP2K2IDO1
SCHEMBL29413499 0.88 MAP2K1 (0.53) MAP2K1MAP2K2IDO1
SCHEMBL3426263 0.81 MAP2K1 (0.46) MAP2K1MAP2K2SRC
SCHEMBL1342762 0.80 IDO1 (0.60) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL1343634 0.80 MAP2K1 (0.58) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL29413439 0.80 MAP2K1 (0.43) MAP2K1MAP2K2SRC
SCHEMBL1343371 0.80 MAP2K1 (0.43) MAP2K1MAP2K2SRC
SCHEMBL1344185 0.79 MAP2K1 (0.57) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL24195834 0.77 MAP2K1 (0.78) 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-109053523-B Azetidines as MEK inhibitors for the treatment of proliferative diseases 埃克塞利希斯股份有限公司 2022-03-25 CN disclosed