SCHEMBL6533701

SCHEMBL6533701

C=CCn1cc(C(=O)OCC)c(Nc2ccc(I)cc2F)cc1=O.CCOC(=O)c1c[nH]c(=O)cc1Nc1ccc(I)cc1F

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.64
MAP2K2 P36507 17/20 0.64
KMT2A Q03164 1/20 0.44

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
SCHEMBL5622745 0.92 MAP2K1 (0.74) MAP2K1MAP2K2KMT2A
SCHEMBL6533636 0.89 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL6531256 0.89 MAP2K1 (0.69) MAP2K1MAP2K2KMT2A
SCHEMBL5623631 0.86 MAP2K1 (0.68) MAP2K1MAP2K2
SCHEMBL6528655 0.82 MAP2K1 (0.63) MAP2K1MAP2K2
SCHEMBL5623977 0.82 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL5623363 0.81 MAP2K1 (0.79) MAP2K1MAP2K2
SCHEMBL5623046 0.79 MAP2K1 (0.82) MAP2K1MAP2K2
SCHEMBL6505756 0.79 MAP2K1 (0.73) MAP2K1MAP2K2
SCHEMBL5623393 0.78 MAP2K2 (1.00) MAP2K1MAP2K2

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-2005000818-A1 5-SUBSTITUTED-4-`(SUBSTITUTED PHENYL)!AMINO!-2-PYRIDONE DEVIATIVES FOR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2005-01-06 WO disclosed