SCHEMBL5147322

SCHEMBL5147322

CC1(C)NC(=O)N(CCNc2nccc(-c3ccc(S(=O)(=O)C4CCCCC4)s3)n2)C1=O

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 3/20 0.35
LOX P28300 1/20 0.35
ALOX15 P16050 1/20 0.34
PKM P14618 1/20 0.34
LMNA P02545 2/20 0.33
ALDH1A1 P00352 2/20 0.33
MAPT P10636 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MKNK1 Q9BUB5 1/20 0.33
CDC7 O00311 1/20 0.32
BRAF P15056 2/20 0.32
AKT3 Q9Y243 3/20 0.32
CDK2 P24941 1/20 0.32
CLK1 P49759 1/20 0.32
MAPK3 P27361 1/20 0.31
MAPK1 P28482 1/20 0.31
RAF1 P04049 1/20 0.31
PLA2G7 Q13093 1/20 0.31

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
SCHEMBL2984959 0.87 LOXL2 (0.34) LOXL2LOXPKMMKNK1CDC7
SCHEMBL2982266 0.86 MAPK3 (0.34) LOXL2LOXPKMMKNK1CDC7
SCHEMBL5147312 0.80 IKBKB (0.42) LMNAALDH1A1SMN1; SMN2MKNK1AKT3
SCHEMBL5145984 0.80 PLA2G7 (0.41) ALDH1A1MKNK1BRAFAKT3RAF1
SCHEMBL5148325 0.79 CDK2 (0.35) PKMLMNAALDH1A1SMN1; SMN2BRAF
SCHEMBL5147371 0.79 LOXL2 (0.38) LOXL2LMNAALDH1A1AKT3CDK2
SCHEMBL5147468 0.79 SMN1; SMN2 (0.40) PKMLMNAALDH1A1MAPTSMN1; SMN2
SCHEMBL5181846 0.79 AKT3 (0.37) LMNAALDH1A1SMN1; SMN2MKNK1AKT3
SCHEMBL5147268 0.79 CDK2 (0.37) LMNAALDH1A1SMN1; SMN2MKNK1CDC7
SCHEMBL5147310 0.77 AKT3 (0.36) ALDH1A1SMN1; SMN2MKNK1AKT3CDK2

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