SCHEMBL4772564

SCHEMBL4772564

CC(C)(C)NC(=O)c1cnc(Cl)nc1N(CCC#N)CCC#N

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.34
APEX1 P27695 1/20 0.34
ALDH1A1 P00352 4/20 0.34
NFKB1 P19838 9/20 0.33
JUN P05412 6/20 0.33
NFKB2 Q00653 6/20 0.33
RELA Q04206 6/20 0.33
XPO1 O14980 4/20 0.32
ATF1 P18846 4/20 0.32
LRRK2 Q5S007 1/20 0.31
TSHR P16473 1/20 0.31
JAK3 P52333 1/20 0.31
NPC1 O15118 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GLA P06280 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
MAPK1 P28482 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
SCHEMBL4770177 0.90 POLB (0.33) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4765263 0.83 NFKB1 (0.39) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4768083 0.76 STK17B (0.40) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4775431 0.75 SLC9A5 (0.38) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4769009 0.74 NFKB1 (0.40) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4772148 0.73 POLB (0.35) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4768472 0.72 NFKB1 (0.52) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4768927 0.70 NFKB1 (0.37) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL6487618 0.70 JAK2 (0.38) POLBAPEX1ALDH1A1NFKB1JUN
SCHEMBL4763606 0.69 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