SCHEMBL29413601

SCHEMBL29413601

O=C(O)c1ccnc(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.66

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.66
MAP2K2 P36507 11/20 0.66
IDO1 P14902 1/20 0.58
KDM4E B2RXH2 1/20 0.52
AURKA O14965 2/20 0.44
TNFRSF1A P19438 2/20 0.44
PRKCB P05771 1/20 0.44
SRC P12931 1/20 0.44
STK3 Q13188 1/20 0.44
KDR P35968 1/20 0.44
MAP3K9 P80192 1/20 0.44
PRKCZ Q05513 1/20 0.43
IARS2 Q9NSE4 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
SCHEMBL1488224 1.00 MAP2K1 (0.66) MAP2K1MAP2K2IDO1KDM4EAURKA
SCHEMBL2027158 0.87 MAP2K1 (0.63) MAP2K1MAP2K2IDO1KDM4EAURKA
SCHEMBL2021723 0.87 MAP2K1 (0.63) MAP2K1MAP2K2IDO1KDM4EAURKA
SCHEMBL188505 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1
SCHEMBL30505247 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1
SCHEMBL1488391 0.80 MAP2K1 (0.71) MAP2K1MAP2K2IDO1KDM4EAURKA
SCHEMBL29413559 0.80 MAP2K1 (1.00) MAP2K1MAP2K2IDO1
Hydrochloric Acid SCHEMBL30080174 0.78 MAP2K1 (0.97) MAP2K1MAP2K2IDO1
SCHEMBL27224629 0.78 MAP2K1 (0.68) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL29682048 0.77 MAP2K1 (0.64) MAP2K1MAP2K2IDO1PRKCZIARS2

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