SCHEMBL4775431

SCHEMBL4775431

COCCN(C)c1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC9A5 Q14940 1/20 0.38
KCNQ3 O43525 1/20 0.37
KCNQ2 O43526 1/20 0.37
DGAT1 O75907 6/20 0.36
NFKB1 P19838 4/20 0.36
ATF1 P18846 2/20 0.36
LRRK2 Q5S007 1/20 0.36
POLB P06746 1/20 0.35
APEX1 P27695 1/20 0.35
GBA1 P04062 1/20 0.34
JUN P05412 2/20 0.33
NFKB2 Q00653 2/20 0.33
RELA Q04206 2/20 0.33
HPGDS O60760 1/20 0.33
SYK P43405 1/20 0.33
F10 P00742 2/20 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
SCHEMBL4770177 0.84 POLB (0.33) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4769009 0.82 NFKB1 (0.40) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4772148 0.81 POLB (0.35) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4768927 0.81 NFKB1 (0.37) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4765263 0.79 NFKB1 (0.39) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL5723806 0.78 NFKB1 (0.39) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4768852 0.76 ALDH1A1 (0.46) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL4772564 0.75 POLB (0.34) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL5723265 0.75 NFKB1 (0.37) NFKB1ATF1LRRK2POLBAPEX1
SCHEMBL5723255 0.74 NFKB1 (0.44) NFKB1ATF1LRRK2POLBAPEX1

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-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