SCHEMBL29425442

SCHEMBL29425442

Cc1cc(I)ccc1Nc1c(C(=O)O)cc(C=O)c(F)c1F

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 8/20 0.51
MAP2K2 P36507 4/20 0.51
AURKA O14965 4/20 0.48
TNFRSF1A P19438 4/20 0.48
MAP3K9 P80192 3/20 0.48
SRC P12931 3/20 0.48
KDR P35968 2/20 0.48
ABL1 P00519 2/20 0.48
LCK P06239 2/20 0.48
CLK1 P49759 2/20 0.48
FGFR1 P11362 1/20 0.48
EPHA2 P29317 1/20 0.48
BTK Q06187 1/20 0.48
IDO1 P14902 3/20 0.48
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
TDP1 Q9NUW8 1/20 0.48
MAPK1 P28482 1/20 0.46
PRKCB P05771 1/20 0.42
STK3 Q13188 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
SCHEMBL23693639 1.00 MAP2K1 (0.51) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL23694073 0.89 MAP2K1 (0.50) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL29425421 0.89 MAP2K1 (0.50) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL23693641 0.88 KMT2A (0.61) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL29425373 0.88 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL1562380 0.88 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL24849049 0.86 MAP2K1 (0.56) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL5872850 0.86 MAP2K1 (0.56) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL23673886 0.86 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9
SCHEMBL29425507 0.86 MAP2K1 (0.67) MAP2K1MAP2K2AURKATNFRSF1AMAP3K9

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115803024-B Compositions comprising aryl amide derivatives 中外制药株式会社 2025-01-10 CN disclosed
CN-114929669-B Aryl amide derivatives with antitumor activity 中外制药株式会社 2024-11-29 CN disclosed
CN-117677607-A Process for producing aryl amide derivative 中外制药株式会社 2024-03-08 CN disclosed
CN-115803024-A Composition comprising arylamide derivatives 中外制药株式会社 2023-03-14 CN disclosed
CN-114929669-A Arylamide derivatives having antitumor activity 中外制药株式会社 2022-08-19 CN disclosed
WO-2022018875-A1 ARYLAMIDE DERIVATIVE-CONTAINING PHARMACEUTICAL COMPOSITION FOR TREATING OR PREVENTING CELL PROLIFERATION DISEASES 中外製薬株式会社 2022-01-27 WO disclosed