SCHEMBL5559374

SCHEMBL5559374

COC(=O)c1cc(CF)c(=O)[nH]c1Nc1ccc(Br)cc1F

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.41
MAP2K2 P36507 2/20 0.40
ALDH1A1 P00352 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
TDP1 Q9NUW8 1/20 0.37

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
SCHEMBL392036 0.82 MAP2K1 (0.45) MAP2K1MAP2K2ALDH1A1L3MBTL1GAA
SCHEMBL5559369 0.76 MAP2K1 (0.44) MAP2K1MAP2K2ALDH1A1L3MBTL1
SCHEMBL5031268 0.72 MAP2K1 (0.42) MAP2K1MAP2K2ALDH1A1L3MBTL1
SCHEMBL388765 0.72 MAP2K1 (0.53) MAP2K1MAP2K2
SCHEMBL391269 0.72 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL1775161 0.72 MAP2K1 (0.45) MAP2K1MAP2K2ALDH1A1GAAMAPT
SCHEMBL5031270 0.71 ALDH1A1 (0.41) MAP2K1MAP2K2ALDH1A1L3MBTL1GAA
SCHEMBL206342 0.71 DGAT1 (0.59) ALDH1A1L3MBTL1GAAMAPT
SCHEMBL391260 0.71 MAP2K1 (0.42) MAP2K1MAP2K2
SCHEMBL388850 0.70 MAP2K1 (0.51) MAP2K1MAP2K2L3MBTL1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1682138-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2007-01-24 EP disclosed
EP-1682138-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-07-26 EP disclosed
WO-2005051301-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-06-09 WO disclosed