SCHEMBL29985133

SCHEMBL29985133

O=[N+]([O-])c1cnc(NC2CC2)nc1Nc1ccc(Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 6/20 0.71
GSK3A P49840 5/20 0.71
STK17A Q9UEE5 1/20 0.55
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
KMT2A Q03164 1/20 0.53
MCL1 Q07820 1/20 0.53
PTK2B Q14289 1/20 0.53
PIN1 Q13526 1/20 0.52
AURKA O14965 2/20 0.51
PRKCQ Q04759 6/20 0.48
SYK P43405 1/20 0.48
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
MAPK8 P45983 1/20 0.43
MAPK9 P45984 1/20 0.43

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
SCHEMBL5408153 0.91 STK17A (0.61) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL29985551 0.87 GSK3B (0.69) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1918620 0.85 STK17A (0.59) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1916449 0.85 GSK3B (0.67) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1916451 0.85 GSK3B (0.67) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1918619 0.85 GSK3B (0.67) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1916270 0.83 GSK3B (0.56) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL3282380 0.83 GSK3B (0.56) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1916273 0.83 GSK3B (0.56) GSK3BGSK3ASTK17AMAPTMEN1
SCHEMBL1916209 0.83 STK17A (0.53) GSK3BGSK3ASTK17AMAPTMEN1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022206730-A1 PYRIMIDOPYRAZINE COMPOUND AND USE THEREOF 武汉人福创新药物研发中心有限公司 2022-10-06 WO disclosed