SCHEMBL6527760

SCHEMBL6527760

CSc1ccc(Nc2cc(=O)n(C)cc2-c2nnc(NCC(O)CO)o2)c(F)c1.CSc1ccc(Nc2cc(=O)n(C)cc2-c2nnc(NCC(O)CO)o2)c(F)c1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.49
MAP2K2 P36507 13/20 0.49
IRAK4 Q9NWZ3 1/20 0.32
FLT1 P17948 1/20 0.32
KDR P35968 1/20 0.32

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
SCHEMBL5622768 1.00 MAP2K1 (0.49) MAP2K1MAP2K2IRAK4FLT1KDR
SCHEMBL5623884 0.88 MAP2K1 (0.52) MAP2K1MAP2K2FLT1KDR
SCHEMBL5623212 0.87 MAP2K1 (0.51) MAP2K1MAP2K2FLT1KDR
SCHEMBL6208441 0.80 MAP2K1 (0.35) MAP2K1MAP2K2IRAK4
SCHEMBL6396688 0.80 MAP2K1 (0.35) MAP2K1MAP2K2IRAK4
SCHEMBL6528382 0.76 MAP2K1 (0.66) MAP2K1MAP2K2
SCHEMBL5623735 0.75 MAP2K1 (0.52) MAP2K1MAP2K2FLT1KDR
SCHEMBL5623838 0.75 MAP2K1 (0.52) MAP2K1MAP2K2FLT1KDR
SCHEMBL5623826 0.74 MAP2K1 (0.52) MAP2K1MAP2K2KDR
SCHEMBL14425460 0.74 MAP2K1 (0.37) 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