SCHEMBL5147312

SCHEMBL5147312

Cc1ccc(-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)s1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
DKK1 O94907 1/20 0.42
GSK3B P49841 1/20 0.42
CDK2 P24941 1/20 0.40
CLK1 P49759 1/20 0.40
PLA2G7 Q13093 1/20 0.38
ALDH1A1 P00352 6/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
AKT3 Q9Y243 1/20 0.36
HTT P42858 2/20 0.35
POLB P06746 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MKNK1 Q9BUB5 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35

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 0.89 AKT3 (0.37) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147268 0.89 CDK2 (0.37) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147468 0.89 SMN1; SMN2 (0.40) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147310 0.87 AKT3 (0.36) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147457 0.86 ALDH1A1 (0.40) CDK2CLK1ALDH1A1SMN1; SMN2HTT
SCHEMBL5179013 0.85 ALDH1A1 (0.42) CDK2CLK1PLA2G7ALDH1A1SMN1; SMN2
SCHEMBL5147359 0.85 ALDH1A1 (0.45) GSK3BCDK2CLK1PLA2G7ALDH1A1
SCHEMBL5147497 0.84 AKT3 (0.41) CDK2CLK1ALDH1A1SMN1; SMN2AKT3
SCHEMBL2975976 0.83 DKK1 (0.41) IKBKBDKK1GSK3BCDK2CLK1
SCHEMBL5147384 0.83 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