SCHEMBL5029045

SCHEMBL5029045

CSc1ccc(Nc2[nH]c(=O)ccc2C(=O)N(C)OCCO)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 16/20 0.40
MAP2K2 P36507 5/20 0.40
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
PDE7A Q13946 1/20 0.32
MAP2K5 Q13163 1/20 0.32
EIF2AK1 Q9BQI3 1/20 0.32
GAA P10253 1/20 0.31
HPGD P15428 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
SCHEMBL5029001 0.90 MAP2K1 (0.39) MAP2K1MAP2K2MAP2K5EIF2AK1GAA
SCHEMBL5028995 0.87 MAP2K2 (0.39) MAP2K1MAP2K2NPC1MAPTRAB9A
SCHEMBL5029051 0.82 MAP2K1 (0.40) MAP2K1MAP2K2NPC1MAPTRAB9A
SCHEMBL5032118 0.78 MAP2K1 (0.36) MAP2K1MAP2K2
SCHEMBL14920264 0.77 MAP2K2 (0.38) MAP2K1MAP2K2MAP2K5GAAHPGD
SCHEMBL13723742 0.77 MAP2K2 (0.38) MAP2K1MAP2K2MAP2K5GAAHPGD
SCHEMBL5031244 0.77 MAP2K1 (0.40) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5028992 0.75 KCNH2 (0.37) MAP2K1MAP2K2GAAHPGD
SCHEMBL5032106 0.75 MAP2K1 (0.37) MAP2K1MAP2K2
SCHEMBL5035606 0.74 MAP2K1 (0.46) MAP2K1MAP2K2MAP2K5EIF2AK1

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