SCHEMBL31354752

SCHEMBL31354752

O=C(O)c1c(-c2ccncc2)cc(F)c(F)c1Nc1ccc(I)cc1F

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.55
MAP2K2 P36507 12/20 0.55
IDO1 P14902 1/20 0.47
CA2 P00918 1/20 0.42
PRKCZ Q05513 1/20 0.41
IARS2 Q9NSE4 1/20 0.41
BRAF P15056 1/20 0.41
MAPK1 P28482 1/20 0.41
MAP2K5 Q13163 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
SCHEMBL31354772 0.90 MAP2K1 (0.56) MAP2K1MAP2K2CA2
SCHEMBL31354753 0.84 MAP2K1 (0.43) MAP2K1MAP2K2IDO1CA2BRAF
SCHEMBL31354762 0.81 MAP2K1 (0.67) MAP2K1MAP2K2IDO1CA2
SCHEMBL24539656 0.78 MAP2K1 (0.64) MAP2K1MAP2K2IDO1MAPK1
SCHEMBL29681825 0.78 MAP2K1 (0.64) MAP2K1MAP2K2IDO1MAPK1
SCHEMBL1340491 0.74 MAP2K1 (0.57) MAP2K1MAP2K2IDO1CA2
SCHEMBL31354786 0.73 MAP2K1 (0.53) MAP2K1MAP2K2IDO1CA2
SCHEMBL31354741 0.73 MAP2K1 (0.58) MAP2K1MAP2K2CA2BRAFMAPK1
SCHEMBL31354748 0.73 MAP2K1 (0.67) MAP2K1MAP2K2CA2
SCHEMBL2953672 0.73 MAP2K1 (0.67) MAP2K1MAP2K2CA2

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