SCHEMBL31354740

SCHEMBL31354740

CC(C)(O)c1ccncc1Nc1ccc(I)cc1F

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 18/20 0.48
▸ MAP2K2 P36507 3/20 0.48
▸ PRKCZ Q05513 1/20 0.48
▸ IARS2 Q9NSE4 1/20 0.48
▸ MAPT P10636 1/20 0.42
▸ GSK3B P49841 1/20 0.42
▸ NUDT1 P36639 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
SCHEMBL3956955 0.77 MAP2K1 (0.51) MAP2K1MAP2K2PRKCZIARS2NUDT1
SCHEMBL31354782 0.76 MAP2K1 (0.48) MAP2K1MAP2K2PRKCZIARS2NUDT1
SCHEMBL31354759 0.76 MAP2K1 (0.62) MAP2K1MAP2K2PRKCZIARS2NUDT1
SCHEMBL31354769 0.76 MAP2K1 (0.56) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL29682048 0.75 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL1488238 0.75 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL29413415 0.75 MAP2K1 (0.64) MAP2K1MAP2K2PRKCZIARS2
SCHEMBL29781369 0.74 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2NUDT1
SCHEMBL3885464 0.74 MAP2K1 (0.60) MAP2K1MAP2K2PRKCZIARS2NUDT1
SCHEMBL25378942 0.74 MAP2K1 (0.51) MAP2K1MAP2K2PRKCZIARS2NUDT1

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
WO-2025054260-A1 INHIBITORS OF MEK KINASE KINNATE BIOPHARMA INC. (US) 2025-03-13 — — WO disclosed
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