SCHEMBL28076725

SCHEMBL28076725

O=C(O)N1CC[C@@H](Nc2ccnc(Cl)c2[N+](=O)[O-])C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 4/20 0.40
HSD11B1 P28845 1/20 0.37
HCAR3 P49019 2/20 0.36
MAPK1 P28482 1/20 0.35
NOS1 P29475 1/20 0.35
NOS2 P35228 1/20 0.35
CCNK O75909 2/20 0.35
CDK12 Q9NYV4 2/20 0.35
SPR P35270 1/20 0.35
TRPV1 Q8NER1 1/20 0.35
KMT2A Q03164 3/20 0.34
GFER P55789 1/20 0.34
MEN1 O00255 2/20 0.34
CUL4A Q13619 1/20 0.34
DCTPP1 Q9H773 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
SCHEMBL28076726 1.00 JAK3 (0.40) JAK3HSD11B1HCAR3MAPK1NOS1
SCHEMBL18285528 0.94 JAK3 (0.47) JAK3HCAR3CCNKCDK12KMT2A
SCHEMBL18285531 0.94 JAK3 (0.47) JAK3HCAR3CCNKCDK12KMT2A
SCHEMBL18285533 0.94 JAK3 (0.47) JAK3HCAR3CCNKCDK12KMT2A
SCHEMBL304703 0.93 HCAR3 (0.39) JAK3HCAR3MAPK1NOS1NOS2
SCHEMBL304702 0.93 HCAR3 (0.39) JAK3HCAR3MAPK1NOS1NOS2
SCHEMBL18644663 0.85 USP30 (0.48) MAPK1
SCHEMBL9972350 0.80 ALDH1A1 (0.50) MAPK1NOS1NOS2
SCHEMBL23450730 0.79 ANO1 (0.44) JAK3
SCHEMBL18289980 0.79 ANO1 (0.44) JAK3

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
CN-105753863-B Oxo-dihydroimidazopyridine compound and application thereof 东莞市真兴贝特医药技术有限公司 2018-07-31 CN disclosed
CN-105753863-A Oxo-dihydroimidazopyridine compound and application thereof 东莞市真兴贝特医药技术有限公司 2016-07-13 CN disclosed