SCHEMBL5029005

SCHEMBL5029005

CSc1ccc(Nc2[nH]c(=O)c(F)cc2C(=O)NCOCCO)c(F)c1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 13/20 0.40
MAP2K2 P36507 7/20 0.40
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
HPGD P15428 4/20 0.35
ALDH1A1 P00352 3/20 0.35
POLB P06746 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAP2K5 Q13163 1/20 0.33
EIF2AK1 Q9BQI3 1/20 0.33
NLRP3 Q96P20 1/20 0.33

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
SCHEMBL5029051 0.89 MAP2K1 (0.40) MAP2K1MAP2K2MAPTNPC1RAB9A
SCHEMBL14919911 0.88 MAP2K1 (0.38) MAP2K1MAP2K2MAPTNPC1RAB9A
SCHEMBL5029001 0.82 MAP2K1 (0.39) MAP2K1MAP2K2HPGDMAP2K5EIF2AK1
SCHEMBL5028996 0.80 HSD17B10 (0.39) MAP2K1MAP2K2MAPTNPC1RAB9A
SCHEMBL5032125 0.77 MAP2K1 (0.38) MAP2K1MAP2K2
SCHEMBL5032110 0.75 MAP2K1 (0.39) MAP2K1MAP2K2
SCHEMBL5031223 0.74 MAP2K1 (0.42) MAP2K1MAP2K2MAP2K5
SCHEMBL3821432 0.74 MAP2K1 (0.48) MAP2K1MAP2K2MAP2K5EIF2AK1
SCHEMBL5029045 0.73 MAP2K1 (0.40) MAP2K1MAP2K2MAPTNPC1RAB9A
SCHEMBL13723742 0.73 MAP2K2 (0.38) MAP2K1MAP2K2HPGDMAP2K5

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