SCHEMBL5147268

SCHEMBL5147268

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

nearest known ligand 0.37

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
PLA2G7 Q13093 1/20 0.37
ALDH1A1 P00352 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKT3 Q9Y243 3/20 0.35
HTT P42858 2/20 0.34
POLB P06746 1/20 0.34
MKNK1 Q9BUB5 2/20 0.34
MAPK1 P28482 2/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK3 P27361 1/20 0.34
PADI4 Q9UM07 1/20 0.33
CDC7 O00311 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
SCHEMBL5147312 0.89 IKBKB (0.42) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5181846 0.87 AKT3 (0.37) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147468 0.87 SMN1; SMN2 (0.40) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147310 0.85 AKT3 (0.36) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL2984724 0.84 MAPK3 (0.37) CDK2CLK1AKT3MKNK1MAPK1
SCHEMBL5179013 0.83 ALDH1A1 (0.42) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147359 0.83 ALDH1A1 (0.45) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147497 0.82 AKT3 (0.41) CDK2CLK1ALDH1A1SMN1; SMN2AKT3
SCHEMBL5147457 0.82 ALDH1A1 (0.40) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5147384 0.81 ALDH1A1 (0.38) CDK2CLK1PLA2G7ALDH1A1SMN1; 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