SCHEMBL5147445

SCHEMBL5147445

CC(CC1(CC(C)Nc2nccc(-c3ccc(CCc4ccccc4)s3)n2)NC(=O)NC1=O)Nc1nccc(-c2ccc(CCc3ccccc3)s2)n1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 7/20 0.40
DHODH Q02127 1/20 0.35
HTR7 P34969 2/20 0.34
IDH1 O75874 7/20 0.33
MAPK1 P28482 1/20 0.33
FDPS P14324 1/20 0.33
NR1H2 P55055 1/20 0.32

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 0.85 DHODH (0.41) AKT3DHODHIDH1
SCHEMBL5147362 0.81 ALDH1A1 (0.43) DHODH
SCHEMBL5149008 0.77 DHODH (0.35) DHODHMAPK1
SCHEMBL5147366 0.76 IKBKB (0.34) AKT3DHODH
SCHEMBL5147414 0.74 ALDH1A1 (0.38) DHODHIDH1
SCHEMBL5147511 0.73 POLB (0.37) DHODH
SCHEMBL5147487 0.73 ALOX15 (0.34)
SCHEMBL5147444 0.72 AKT3 (0.43) AKT3HTR7MAPK1
SCHEMBL2990318 0.71 AKT3 (0.42) AKT3HTR7MAPK1
SCHEMBL13154186 0.67 IKBKB (0.44) AKT3

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