SCHEMBL5147389

SCHEMBL5147389

CC(CC1(CC(C)Nc2nccc(-c3ccc(C=Cc4ccccc4)s3)n2)NC(=O)NC1=O)Nc1nccc(-c2ccc(C=Cc3ccccc3)s2)n1

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.34
AKT3 Q9Y243 1/20 0.34
KDM5B Q9UGL1 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
ALOX5 P09917 1/20 0.32
IDH1 O75874 5/20 0.32
MAPK1 P28482 2/20 0.31
MAPK13 O15264 2/20 0.30
MAPK12 P53778 2/20 0.30
MAPK11 Q15759 2/20 0.30
MAPK14 Q16539 2/20 0.30
MAPK8 P45983 1/20 0.30
IKBKB O14920 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
SCHEMBL5147314 0.83 DHODH (0.41) DHODHAKT3IDH1MAPK13MAPK12
SCHEMBL5147445 0.82 AKT3 (0.40) DHODHAKT3IDH1MAPK1
SCHEMBL5147362 0.80 ALDH1A1 (0.43) DHODHALDH1A1LMNA
SCHEMBL5149008 0.75 DHODH (0.35) DHODHMAPK1
SCHEMBL5147414 0.73 ALDH1A1 (0.38) DHODHALDH1A1IDH1MAPK13MAPK12
SCHEMBL5147384 0.72 ALDH1A1 (0.38) AKT3ALDH1A1LMNAHTTMAPK1
SCHEMBL5147511 0.72 POLB (0.37) DHODHLMNAIKBKB
SCHEMBL5147487 0.72 ALOX15 (0.34) ALDH1A1LMNAMAPK13MAPK12MAPK11
SCHEMBL2977023 0.71 AKT3 (0.35) AKT3MAPK1IKBKB
SCHEMBL2977020 0.71 AKT3 (0.35) AKT3MAPK1IKBKB

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-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 WO disclosed