SCHEMBL5035606

SCHEMBL5035606

CN(OCCO)C(=O)c1cc(Cl)c(=O)[nH]c1Nc1ccc(I)cc1F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 19/20 0.46
MAP2K2 P36507 5/20 0.46
MAP2K5 Q13163 1/20 0.41
EIF2AK1 Q9BQI3 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PIM1 P11309 1/20 0.40
CAMK2B Q13554 1/20 0.40

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
SCHEMBL5035605 0.87 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL5031244 0.81 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5031221 0.79 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5PIM1CAMK2B
SCHEMBL5029001 0.79 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5031226 0.76 MAP2K1 (0.48) MAP2K1MAP2K2CYP3A4CYP2C9CYP2C19
SCHEMBL2511180 0.76 MAP2K1 (0.45) MAP2K1MAP2K2
SCHEMBL5028992 0.75 KCNH2 (0.37) MAP2K1MAP2K2CYP3A4CYP2C19
SCHEMBL5029045 0.74 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5554883 0.73 MAP2K1 (0.47) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL5035609 0.73 KCNH2 (0.41) 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