SCHEMBL6504308

SCHEMBL6504308

CC(C)(C)[C@H](C(=O)O)n1cc(C(=O)NCCCO)c(Nc2ccc(I)cc2F)cc1=O

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 20/20 0.70
MAP2K2 P36507 16/20 0.70

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
SCHEMBL5623491 0.82 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL5623858 0.80 MAP2K1 (0.74) MAP2K1MAP2K2
SCHEMBL5623075 0.80 MAP2K1 (0.80) MAP2K1MAP2K2
SCHEMBL14418883 0.79 MAP2K1 (0.69) MAP2K1MAP2K2
SCHEMBL5623946 0.77 MAP2K1 (0.85) MAP2K1MAP2K2
SCHEMBL5623812 0.77 MAP2K1 (1.00) MAP2K1MAP2K2
SCHEMBL5623381 0.75 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL5622796 0.73 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL26047681 0.73 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL5623065 0.73 MAP2K1 (0.81) 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