SCHEMBL5147406

SCHEMBL5147406

Cc1ccccc1Sc1ccc(-c2ccnc(NCCN3C(=O)NC(C)(C)C3=O)n2)s1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.37
CLK1 P49759 1/20 0.37
ALDH1A1 P00352 10/20 0.34
LMNA P02545 3/20 0.33
HTT P42858 3/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
AKT3 Q9Y243 1/20 0.32
EIF2AK2 P19525 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
PLA2G7 Q13093 1/20 0.31
PIK3CA P42336 1/20 0.31

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
SCHEMBL5146082 0.90 CDK2 (0.35) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL2975266 0.87 CDK2 (0.35) CDK2CLK1ALDH1A1LMNAMAPK1
SCHEMBL5149003 0.84 CDK2 (0.36) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5147312 0.83 IKBKB (0.42) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5148325 0.80 CDK2 (0.35) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5147268 0.79 CDK2 (0.37) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5181846 0.79 AKT3 (0.37) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5147468 0.79 SMN1; SMN2 (0.40) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5148412 0.79 ALDH1A1 (0.37) CDK2CLK1ALDH1A1LMNAHTT
SCHEMBL5147497 0.78 AKT3 (0.41) CDK2CLK1ALDH1A1LMNAHTT

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