SCHEMBL4770177

SCHEMBL4770177

CN(CCC#N)c1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
JAK3 P52333 1/20 0.33
NFKB1 P19838 8/20 0.32
JUN P05412 5/20 0.32
NFKB2 Q00653 5/20 0.32
RELA Q04206 5/20 0.32
ATF1 P18846 3/20 0.32
SYK P43405 2/20 0.32
XPO1 O14980 2/20 0.32
ALDH1A1 P00352 2/20 0.32
HPGD P15428 1/20 0.32
CTSL P07711 1/20 0.32
CTSS P25774 1/20 0.32
CTSK P43235 1/20 0.32
IRAK1 P51617 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31
LRRK2 Q5S007 1/20 0.31
TSHR P16473 1/20 0.31
NMT1 P30419 1/20 0.31

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
SCHEMBL4772564 0.90 POLB (0.34) POLBAPEX1JAK3NFKB1JUN
SCHEMBL4775431 0.84 SLC9A5 (0.38) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4769009 0.80 NFKB1 (0.40) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4772148 0.79 POLB (0.35) POLBAPEX1JAK3NFKB1JUN
SCHEMBL4765263 0.77 NFKB1 (0.39) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4768927 0.76 NFKB1 (0.37) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4768083 0.75 STK17B (0.40) POLBAPEX1JAK3NFKB1JUN
SCHEMBL4773492 0.72 CSNK1A1 (0.45) ALDH1A1IRAK1IRAK4TSHRNMT1
SCHEMBL4768472 0.72 NFKB1 (0.52) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4763606 0.71 STK17B (0.41) POLBAPEX1NFKB1JUNNFKB2

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