SCHEMBL5031300

SCHEMBL5031300

CSc1ccc(Nc2c(C(=O)N(C)OC[C@H](C)O)n[nH]c(=O)c2F)c(F)c1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 3/20 0.35
MAP2K2 P36507 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
MAPK1 P28482 1/20 0.31
KCNH2 Q12809 1/20 0.31
SYK P43405 1/20 0.30
CYP1A2 P05177 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL5032118 0.88 MAP2K1 (0.36) MAP2K1MAP2K2L3MBTL1
SCHEMBL5031302 0.83 MAP2K1 (0.35) MAP2K1MAP2K2MAPK1KCNH2SYK
SCHEMBL14920264 0.80 MAP2K2 (0.38) MAP2K1MAP2K2MAPK1KCNH2
SCHEMBL13723742 0.80 MAP2K2 (0.38) MAP2K1MAP2K2MAPK1KCNH2
SCHEMBL5031293 0.79 MAP2K1 (0.44) MAP2K1MAP2K2MAPK1KCNH2
SCHEMBL5032106 0.79 MAP2K1 (0.37) MAP2K1MAP2K2L3MBTL1
SCHEMBL5028995 0.79 MAP2K2 (0.39) MAP2K1MAP2K2MAPK1KCNH2SMN1; SMN2
SCHEMBL5028992 0.78 KCNH2 (0.37) MAP2K1MAP2K2KCNH2CYP1A2
SCHEMBL5031226 0.75 MAP2K1 (0.48) MAP2K1MAP2K2
SCHEMBL5031197 0.75 MAP2K1 (0.48) MAP2K1MAP2K2

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