SCHEMBL5147384

SCHEMBL5147384

CC1(C)NC(=O)N(CCNc2nccc(-c3ccc(/C=C/c4ccccc4)s3)n2)C1=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 10/20 0.38
LMNA P02545 3/20 0.36
HTT P42858 3/20 0.36
MAPK1 P28482 2/20 0.36
TSHR P16473 1/20 0.36
CDK2 P24941 1/20 0.35
CLK1 P49759 1/20 0.35
AKT3 Q9Y243 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
GAA P10253 1/20 0.34
KDM4E B2RXH2 1/20 0.34
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PLA2G7 Q13093 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
SCHEMBL2977020 0.86 AKT3 (0.35) MAPK1CDK2CLK1AKT3
SCHEMBL2977023 0.86 AKT3 (0.35) MAPK1CDK2CLK1AKT3
SCHEMBL5147312 0.83 IKBKB (0.42) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL5147497 0.82 AKT3 (0.41) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL5147444 0.81 AKT3 (0.43) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL5147468 0.81 SMN1; SMN2 (0.40) ALDH1A1LMNAHTTMAPK1CDK2
SCHEMBL5181846 0.81 AKT3 (0.37) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL5147268 0.81 CDK2 (0.37) ALDH1A1LMNAHTTMAPK1TSHR
SCHEMBL5147310 0.80 AKT3 (0.36) ALDH1A1MAPK1CDK2CLK1AKT3
SCHEMBL5147359 0.79 ALDH1A1 (0.45) ALDH1A1LMNACDK2CLK1SMN1; SMN2

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