SCHEMBL5028995

SCHEMBL5028995

CSc1ccc(Nc2[nH]c(=O)ccc2C(=O)N(C)OC[C@H](C)O)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K2 P36507 3/20 0.39
MAP2K1 Q02750 3/20 0.39
KCNH2 Q12809 1/20 0.34
GAA P10253 2/20 0.32
PDE7A Q13946 1/20 0.31
MAPK1 P28482 2/20 0.31
HPGD P15428 1/20 0.31
BRAF P15056 1/20 0.30
MAP2K5 Q13163 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
CDK4 P11802 1/20 0.30
CDK2 P24941 1/20 0.30

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
SCHEMBL14920264 0.90 MAP2K2 (0.38) MAP2K2MAP2K1KCNH2GAAMAPK1
SCHEMBL13723742 0.90 MAP2K2 (0.38) MAP2K2MAP2K1KCNH2GAAMAPK1
SCHEMBL5028992 0.88 KCNH2 (0.37) MAP2K2MAP2K1KCNH2GAAHPGD
SCHEMBL5029045 0.87 MAP2K1 (0.40) MAP2K2MAP2K1GAAPDE7AHPGD
SCHEMBL5031300 0.79 MAP2K1 (0.35) MAP2K2MAP2K1KCNH2MAPK1SMN1; SMN2
SCHEMBL5029001 0.77 MAP2K1 (0.39) MAP2K2MAP2K1GAAHPGDMAP2K5
SCHEMBL5031221 0.77 MAP2K1 (0.42) MAP2K2MAP2K1KCNH2MAPK1BRAF
SCHEMBL5035605 0.75 MAP2K1 (0.40) MAP2K2MAP2K1KCNH2MAPK1BRAF
SCHEMBL5033731 0.74 APLNR (0.36) MAP2K2MAP2K1NPC1
SCHEMBL14919911 0.73 MAP2K1 (0.38) MAP2K2MAP2K1KCNH2GAAMAPK1

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