SCHEMBL5035605

SCHEMBL5035605

C[C@H](O)CON(C)C(=O)c1cc(Cl)c(=O)[nH]c1Nc1ccc(I)cc1F

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.40
MAP2K2 P36507 11/20 0.40
BRAF P15056 1/20 0.40
MAPK1 P28482 1/20 0.40
MAP2K5 Q13163 1/20 0.40
KCNH2 Q12809 2/20 0.40
PIM1 P11309 1/20 0.37
CAMK2B Q13554 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
SCHEMBL5031221 0.92 MAP2K1 (0.42) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL5028992 0.88 KCNH2 (0.37) MAP2K1MAP2K2KCNH2
SCHEMBL5035606 0.87 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL5035609 0.82 KCNH2 (0.41) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL13723742 0.79 MAP2K2 (0.38) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL14920264 0.79 MAP2K2 (0.38) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL5031293 0.77 MAP2K1 (0.44) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL5028995 0.75 MAP2K2 (0.39) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL5031223 0.73 MAP2K1 (0.42) MAP2K1MAP2K2BRAFMAPK1MAP2K5
SCHEMBL5554883 0.72 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP claimed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO claimed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed