SCHEMBL5145984

SCHEMBL5145984

CC1(C)NC(=O)N(CCNc2nccc(-c3ccc(S(=O)(=O)c4ccc(F)cc4)s3)n2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PLA2G7 Q13093 1/20 0.41
ALDH1A1 P00352 1/20 0.38
AKT3 Q9Y243 5/20 0.37
MKNK1 Q9BUB5 1/20 0.36
BRAF P15056 8/20 0.36
RAF1 P04049 6/20 0.36
IKBKB O14920 1/20 0.35
DKK1 O94907 1/20 0.35
GSK3B P49841 1/20 0.35
ERN1 O75460 1/20 0.34
ABL1 P00519 1/20 0.34
FGFR1 P11362 1/20 0.34
FLT3 P36888 1/20 0.34
MAPK8 P45983 1/20 0.34
MAPK11 Q15759 1/20 0.34
MAPK14 Q16539 1/20 0.34
NTRK2 Q16620 1/20 0.34
HIPK1 Q86Z02 1/20 0.34
MAP3K20 Q9NYL2 1/20 0.34

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
SCHEMBL2983034 0.87 AKT3 (0.36) AKT3MKNK1BRAFRAF1IKBKB
SCHEMBL5149061 0.87 PLA2G7 (0.38) PLA2G7ALDH1A1
SCHEMBL5147455 0.85 PLA2G7 (0.37) PLA2G7ALDH1A1
SCHEMBL5148325 0.83 CDK2 (0.35) ALDH1A1AKT3BRAFRAF1IKBKB
SCHEMBL5147371 0.83 LOXL2 (0.38) ALDH1A1AKT3
SCHEMBL2984806 0.81 ALDH1A1 (0.50) ALDH1A1BRAFRAF1IKBKB
SCHEMBL5147312 0.81 IKBKB (0.42) PLA2G7ALDH1A1AKT3MKNK1IKBKB
SCHEMBL5147322 0.80 LOXL2 (0.35) PLA2G7ALDH1A1AKT3MKNK1BRAF
SCHEMBL5147468 0.79 SMN1; SMN2 (0.40) PLA2G7ALDH1A1AKT3
SCHEMBL5147268 0.79 CDK2 (0.37) PLA2G7ALDH1A1AKT3MKNK1

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