SCHEMBL4769049

SCHEMBL4769049

CCOC(=O)CNc1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.48
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 6/20 0.40
LMNA P02545 3/20 0.40
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
TSHR P16473 1/20 0.40
ATF1 P18846 1/20 0.38
NFKB1 P19838 1/20 0.38
CASP1 P29466 1/20 0.38
GLA P06280 1/20 0.38
SYK P43405 3/20 0.38
MAPK1 P28482 1/20 0.38
STK17B O94768 1/20 0.38
STK17A Q9UEE5 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 2/20 0.37

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
SCHEMBL20980101 0.84 L3MBTL1 (0.50) L3MBTL1KDM4EHTTALDH1A1HSD17B10
SCHEMBL4774497 0.84 NFKB1 (0.40) ALDH1A1TSHRATF1NFKB1SYK
SCHEMBL4769101 0.80 STK17B (0.43) ALDH1A1LMNAATF1NFKB1SYK
SCHEMBL2842558 0.80 L3MBTL1 (0.53) L3MBTL1KDM4EHTTALDH1A1LMNA
SCHEMBL4765257 0.80 STK17B (0.47) L3MBTL1KDM4ENFKB1STK17BSTK17A
SCHEMBL4768852 0.80 ALDH1A1 (0.46) ALDH1A1ATF1NFKB1SYKSTK17B
SCHEMBL4769948 0.80 STK17B (0.46) L3MBTL1KDM4EHTTALDH1A1LMNA
SCHEMBL4772853 0.78 TRPA1 (0.41) ATF1NFKB1SYKSTK17BSTK17A
SCHEMBL4772216 0.78 STK17B (0.40) HTTALDH1A1TSHRATF1NFKB1
SCHEMBL4765932 0.78 STK17B (0.43) ALDH1A1TSHRATF1NFKB1SYK

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