SCHEMBL5147310

SCHEMBL5147310

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

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT3 Q9Y243 6/20 0.36
CDK2 P24941 1/20 0.36
CLK1 P49759 1/20 0.36
PLA2G7 Q13093 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
MAPK3 P27361 1/20 0.35
MAPK1 P28482 1/20 0.35
ALDH1A1 P00352 5/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SRC P12931 1/20 0.34
ZAP70 P43403 1/20 0.34
SYK P43405 1/20 0.34
EIF2AK2 P19525 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL5181846 0.88 AKT3 (0.37) AKT3CDK2CLK1PLA2G7MKNK1
SCHEMBL5147312 0.87 IKBKB (0.42) AKT3CDK2CLK1PLA2G7MKNK1
SCHEMBL5147497 0.86 AKT3 (0.41) AKT3CDK2CLK1MAPK1ALDH1A1
SCHEMBL2975816 0.86 MAPK3 (0.38) AKT3CDK2CLK1MKNK1MAPK3
SCHEMBL5147444 0.85 AKT3 (0.43) AKT3CDK2CLK1MKNK1MAPK1
SCHEMBL5147268 0.85 CDK2 (0.37) AKT3CDK2CLK1PLA2G7MKNK1
SCHEMBL5147468 0.85 SMN1; SMN2 (0.40) AKT3CDK2CLK1PLA2G7MAPK1
SCHEMBL5179013 0.82 ALDH1A1 (0.42) AKT3CDK2CLK1PLA2G7MAPK3
SCHEMBL5147359 0.81 ALDH1A1 (0.45) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147457 0.80 ALDH1A1 (0.40) CDK2CLK1MAPK3MAPK1ALDH1A1

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