SCHEMBL5147284

SCHEMBL5147284

CC1(C)NC(=O)N(CCNc2nccc(-c3scc(C#N)c3-c3ccccc3)n2)C1=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.36
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR7 P34969 1/20 0.35
EIF2AK2 P19525 1/20 0.35
CDK2 P24941 1/20 0.35
CLK1 P49759 1/20 0.35
POLB P06746 1/20 0.35
MAPK1 P28482 2/20 0.34
KDM4E B2RXH2 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
USP30 Q70CQ3 2/20 0.33
MAP3K14 Q99558 2/20 0.33
RAF1 P04049 2/20 0.33
BRAF P15056 2/20 0.33
GAA P10253 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
SCHEMBL5147388 0.88 ALDH1A1 (0.41) ALDH1A1EIF2AK2CDK2CLK1MAPK1
SCHEMBL2978487 0.87 EIF2AK2 (0.37) ALDH1A1EIF2AK2CDK2CLK1MAPK1
SCHEMBL5148871 0.78 ALDH1A1 (0.40) ALDH1A1CDK2CLK1HTT
SCHEMBL5147410 0.75 ALDH1A1 (0.41) ALDH1A1CDK2CLK1KDM4EHTT
SCHEMBL2984010 0.75 EIF2AK2 (0.39) EIF2AK2CDK2CLK1RAF1BRAF
SCHEMBL5147395 0.74 CDK2 (0.38) ALDH1A1CDK2CLK1POLBMAPK1
SCHEMBL5147359 0.74 ALDH1A1 (0.45) ALDH1A1CDK2CLK1KDM4ELMNA
SCHEMBL5148412 0.72 ALDH1A1 (0.37) ALDH1A1CDK2CLK1MAPK1L3MBTL1
SCHEMBL5147312 0.72 IKBKB (0.42) ALDH1A1CDK2CLK1POLBMAPK1
SCHEMBL5147497 0.71 AKT3 (0.41) ALDH1A1HTR7EIF2AK2CDK2CLK1

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