SCHEMBL4772148

SCHEMBL4772148

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

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.35
APEX1 P27695 1/20 0.35
HSD17B10 Q99714 1/20 0.34
LRRK2 Q5S007 1/20 0.34
NFKB1 P19838 8/20 0.33
JUN P05412 5/20 0.33
NFKB2 Q00653 5/20 0.33
RELA Q04206 5/20 0.33
ATF1 P18846 3/20 0.33
SYK P43405 2/20 0.33
XPO1 O14980 2/20 0.33
JAK3 P52333 2/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
CDK1 P06493 1/20 0.32
CDK5 Q00535 1/20 0.32

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
SCHEMBL4769009 0.82 NFKB1 (0.40) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL4775431 0.81 SLC9A5 (0.38) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL4770177 0.79 POLB (0.33) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL4765263 0.79 NFKB1 (0.39) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL4768927 0.78 NFKB1 (0.37) POLBAPEX1HSD17B10LRRK2NFKB1
SCHEMBL4768472 0.73 NFKB1 (0.52) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL1938246 0.73 CDK1 (0.40) JAK3ALDH1A1CDK1CDK5
SCHEMBL4772564 0.73 POLB (0.34) POLBAPEX1LRRK2NFKB1JUN
SCHEMBL6487618 0.70 JAK2 (0.38) POLBAPEX1NFKB1JUNNFKB2
SCHEMBL4763606 0.70 STK17B (0.41) POLBAPEX1LRRK2NFKB1JUN

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