SCHEMBL4769009

SCHEMBL4769009

CN(CC(F)(F)F)c1nc(Cl)ncc1C(=O)NC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 15/20 0.40
JUN P05412 7/20 0.40
NFKB2 Q00653 7/20 0.40
RELA Q04206 7/20 0.40
XPO1 O14980 4/20 0.40
ATF1 P18846 9/20 0.39
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
LRRK2 Q5S007 1/20 0.34
CNR2 P34972 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
SCHEMBL4775431 0.82 SLC9A5 (0.38) NFKB1JUNNFKB2RELAATF1
SCHEMBL4772148 0.82 POLB (0.35) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4770177 0.80 POLB (0.33) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4765263 0.80 NFKB1 (0.39) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4768927 0.79 NFKB1 (0.37) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4773876 0.75 NFKB1 (0.40) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4768472 0.74 NFKB1 (0.52) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4772564 0.74 POLB (0.34) NFKB1JUNNFKB2RELAXPO1
SCHEMBL6487618 0.71 JAK2 (0.38) NFKB1JUNNFKB2RELAXPO1
SCHEMBL4763606 0.71 STK17B (0.41) NFKB1JUNNFKB2RELAATF1

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