SCHEMBL4772216

SCHEMBL4772216

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

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
POLB P06746 1/20 0.37
APEX1 P27695 1/20 0.37
ALDH1A1 P00352 2/20 0.36
TSHR P16473 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LRRK2 Q5S007 1/20 0.35
NFKB1 P19838 7/20 0.35
JUN P05412 5/20 0.35
NFKB2 Q00653 5/20 0.35
RELA Q04206 5/20 0.35
SYK P43405 2/20 0.35
XPO1 O14980 2/20 0.34
ANO1 Q5XXA6 3/20 0.34
ATF1 P18846 2/20 0.34
HTT P42858 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
SCHEMBL4768083 0.87 STK17B (0.40) STK17BSTK17APOLBAPEX1ALDH1A1
SCHEMBL4774497 0.85 NFKB1 (0.40) STK17BSTK17APOLBAPEX1ALDH1A1
SCHEMBL4765932 0.82 STK17B (0.43) STK17BSTK17APOLBAPEX1ALDH1A1
SCHEMBL4772853 0.82 TRPA1 (0.41) STK17BSTK17APOLBAPEX1LRRK2
SCHEMBL4773876 0.82 NFKB1 (0.40) STK17BSTK17APOLBAPEX1LRRK2
SCHEMBL4765257 0.81 STK17B (0.47) STK17BSTK17ANFKB1JUNNFKB2
SCHEMBL4768852 0.81 ALDH1A1 (0.46) STK17BSTK17APOLBAPEX1ALDH1A1
SCHEMBL4768060 0.81 LRRK2 (0.46) STK17BSTK17APOLBAPEX1ALDH1A1
SCHEMBL4770559 0.80 JAK2 (0.43) SYK
SCHEMBL4763606 0.80 STK17B (0.41) STK17BSTK17APOLBAPEX1MEN1

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