SCHEMBL4765263

SCHEMBL4765263

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 7/20 0.39
JUN P05412 5/20 0.39
NFKB2 Q00653 5/20 0.39
RELA Q04206 5/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
XPO1 O14980 3/20 0.36
ATF1 P18846 2/20 0.35
LMNA P02545 3/20 0.35
ALOX15 P16050 1/20 0.35
HTT P42858 1/20 0.35
ALDH1A1 P00352 2/20 0.34
TSHR P16473 1/20 0.34
SYK P43405 2/20 0.34
LRRK2 Q5S007 1/20 0.34

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 0.83 POLB (0.34) NFKB1JUNNFKB2RELAPOLB
SCHEMBL6487618 0.80 JAK2 (0.38) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4769009 0.80 NFKB1 (0.40) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4775431 0.79 SLC9A5 (0.38) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4772148 0.79 POLB (0.35) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4768927 0.78 NFKB1 (0.37) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4768472 0.78 NFKB1 (0.52) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4770177 0.77 POLB (0.33) NFKB1JUNNFKB2RELAPOLB
SCHEMBL4774497 0.77 NFKB1 (0.40) NFKB1JUNNFKB2RELAPOLB
SCHEMBL5723638 0.77 NFKB1 (0.39) NFKB1JUNNFKB2RELAPOLB

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