SCHEMBL28639475

SCHEMBL28639475

CC(CCNc1nc(NC(C)(C)C)ncc1[N+](=O)[O-])OC(N)=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKCQ Q04759 12/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
STK17A Q9UEE5 1/20 0.40
SIRT5 Q9NXA8 2/20 0.37
PTK2B Q14289 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
MCL1 Q07820 1/20 0.37
JAK2 O60674 2/20 0.35
TYK2 P29597 2/20 0.35
JAK3 P52333 2/20 0.35
JAK1 P23458 1/20 0.35
GSK3A P49840 2/20 0.35
GSK3B P49841 2/20 0.35
AURKA O14965 1/20 0.35

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
SCHEMBL28639902 0.84 JAK3 (0.38) JAK2TYK2JAK3JAK1MAPK8
SCHEMBL19665564 0.83 L3MBTL1 (0.44) PRKCQL3MBTL1STK17AMAPT
SCHEMBL28644319 0.83 PRKCQ (0.44) PRKCQL3MBTL1GSK3AGSK3BCDK2
SCHEMBL28657267 0.82 L3MBTL1 (0.47) PRKCQL3MBTL1STK17ASIRT5PTK2B
SCHEMBL19665753 0.82 PRKCQ (0.42) PRKCQL3MBTL1STK17ASIRT5PTK2B
SCHEMBL29802501 0.80 PRKCQ (0.38) PRKCQL3MBTL1STK17ASIRT5PTK2B
SCHEMBL19665748 0.79 PRKCQ (0.43) PRKCQL3MBTL1STK17APTK2BMEN1
SCHEMBL19665714 0.76 SIRT5 (0.53) PRKCQL3MBTL1STK17ASIRT5PTK2B
SCHEMBL19665633 0.75 STK17A (0.53) PRKCQL3MBTL1STK17ASIRT5PTK2B
SCHEMBL28650009 0.75 PIN1 (0.44) PRKCQL3MBTL1STK17APTK2BMEN1

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
CN-109563095-B Animal and human antimalarial agents 细胞基因公司 2021-10-29 CN disclosed