SCHEMBL5031244

SCHEMBL5031244

CN(OCCO)C(=O)c1ccc(=O)[nH]c1Nc1ccc(I)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.40
MAP2K2 P36507 7/20 0.36
RAF1 P04049 1/20 0.36
PDGFRB P09619 1/20 0.36
CSNK2A2 P19784 1/20 0.36
CSNK2B P67870 1/20 0.36
CSNK2A1 P68400 1/20 0.36
CSNK2A3 Q8NEV1 1/20 0.36
AURKC Q9UQB9 1/20 0.36
CAMK2A Q9UQM7 1/20 0.36
CAPN1 P07384 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33
MAP2K5 Q13163 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
LIN28A Q9H9Z2 1/20 0.31

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
SCHEMBL5035606 0.81 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL2511180 0.81 MAP2K1 (0.45) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5029045 0.77 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5554883 0.74 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL5035605 0.68 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5
SCHEMBL5029001 0.66 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5031226 0.65 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL4851728 0.65 MAP2K1 (0.58) MAP2K1MAP2K2RAF1PDGFRBCSNK2A2
SCHEMBL5559975 0.64 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL5031221 0.64 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5

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 2 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 disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed