SCHEMBL4763606

SCHEMBL4763606

CN(C)CCNc1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.41
STK17A Q9UEE5 1/20 0.41
FGFR1 P11362 1/20 0.37
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
SYK P43405 2/20 0.36
CYP1A2 P05177 1/20 0.36
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
CSNK2A1 P68400 3/20 0.34
CSNK2A2 P19784 2/20 0.34
CSNK2B P67870 2/20 0.34
RAD52 P43351 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NFKB1 P19838 3/20 0.34
JUN P05412 2/20 0.34
NFKB2 Q00653 2/20 0.34

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
SCHEMBL4765932 0.85 STK17B (0.43) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4768852 0.84 ALDH1A1 (0.46) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4765257 0.84 STK17B (0.47) STK17BSTK17AKDM4EL3MBTL1NFKB1
SCHEMBL4774497 0.83 NFKB1 (0.40) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4769101 0.82 STK17B (0.43) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4772216 0.80 STK17B (0.40) STK17BSTK17AMEN1KMT2ASYK
SCHEMBL4772853 0.80 TRPA1 (0.41) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4773876 0.80 NFKB1 (0.40) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4768083 0.80 STK17B (0.40) STK17BSTK17ASYKPOLBAPEX1
SCHEMBL4769948 0.79 STK17B (0.46) STK17BSTK17AKDM4EL3MBTL1LRRK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1303496-B9 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2008-03-19 EP disclosed
EP-1303496-B1 PYRIMIDINE DERIVATIVES ASTRAZENECA AB (SE) 2007-09-12 EP disclosed
US-6908920-B2 Pyrimidine derivatives ASTRAZENECA AB (SE) 2005-06-21 US disclosed