SCHEMBL29413583

SCHEMBL29413583

O=C(O)c1c[nH]c(=O)nc1Nc1ccc(I)cc1F

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 16/20 0.54
▸ MAP2K2 P36507 10/20 0.54
▸ IDO1 P14902 1/20 0.49
▸ AURKA O14965 2/20 0.40
▸ TNFRSF1A P19438 2/20 0.40
▸ PRKCB P05771 1/20 0.40
▸ SRC P12931 1/20 0.40
▸ STK3 Q13188 1/20 0.40
▸ KDR P35968 1/20 0.40
▸ MAP3K9 P80192 1/20 0.40
▸ PRKCZ Q05513 1/20 0.39
▸ IARS2 Q9NSE4 1/20 0.39
▸ DHODH Q02127 1/20 0.39

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
SCHEMBL1488064 1.00 MAP2K1 (0.54) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL3527300 0.80 MAP2K1 (0.60) MAP2K1MAP2K2IDO1DHODH
SCHEMBL5623007 0.79 MAP2K1 (0.79) MAP2K1MAP2K2IDO1
SCHEMBL12257051 0.78 MAP2K1 (0.62) MAP2K1MAP2K2
SCHEMBL1488519 0.77 MAP2K1 (0.64) MAP2K1MAP2K2
SCHEMBL23851097 0.75 MAP2K1 (0.62) MAP2K1MAP2K2IDO1DHODH
SCHEMBL23851383 0.75 MAP2K1 (0.59) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL31135614 0.75 MAP2K1 (0.59) MAP2K1MAP2K2IDO1AURKATNFRSF1A
SCHEMBL31135615 0.75 MAP2K1 (0.62) MAP2K1MAP2K2IDO1DHODH
SCHEMBL6531054 0.74 MAP2K1 (0.91) MAP2K1MAP2K2IDO1

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
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