SCHEMBL4768083

SCHEMBL4768083

CC(C)(C)NC(=O)c1cnc(Cl)nc1NCC#N

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
JAK3 P52333 1/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
NFKB1 P19838 7/20 0.36
JUN P05412 5/20 0.36
NFKB2 Q00653 5/20 0.36
RELA Q04206 5/20 0.36
LRRK2 Q5S007 1/20 0.35
CTSL P07711 3/20 0.35
CTSS P25774 3/20 0.35
SYK P43405 2/20 0.35
XPO1 O14980 2/20 0.34
CTSK P43235 1/20 0.34
ATF1 P18846 2/20 0.34
PLAU P00749 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 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
SCHEMBL4772216 0.87 STK17B (0.40) STK17BSTK17APOLBAPEX1NFKB1
SCHEMBL4774497 0.85 NFKB1 (0.40) STK17BSTK17APOLBAPEX1NFKB1
SCHEMBL4773876 0.82 NFKB1 (0.40) STK17BSTK17APOLBAPEX1NFKB1
SCHEMBL4772853 0.82 TRPA1 (0.41) STK17BSTK17AJAK3POLBAPEX1
SCHEMBL4765932 0.82 STK17B (0.43) STK17BSTK17APOLBAPEX1NFKB1
SCHEMBL22261317 0.81 JAK3 (0.54) STK17BSTK17AJAK3SYKPLAU
SCHEMBL29622837 0.81 JAK3 (0.54) STK17BSTK17AJAK3SYKPLAU
SCHEMBL4765257 0.81 STK17B (0.47) STK17BSTK17AJAK3NFKB1JUN
SCHEMBL4768852 0.81 ALDH1A1 (0.46) STK17BSTK17AJAK3POLBAPEX1
SCHEMBL4768060 0.81 LRRK2 (0.46) STK17BSTK17APOLBAPEX1NFKB1

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