SCHEMBL28068412

SCHEMBL28068412

O=C(NC1CC1)C1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.60
JAK1 P23458 2/20 0.58
AKT2 P31751 2/20 0.58
GSK3B P49841 2/20 0.58
JAK2 O60674 4/20 0.58
KIT P10721 2/20 0.57
LCK P06239 1/20 0.56
DOT1L Q8TEK3 2/20 0.56
BTK Q06187 1/20 0.53

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
SCHEMBL28380999 0.87 JAK3 (0.65) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL12612688 0.87 JAK2 (0.48) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL15663627 0.86 KIT (0.60) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL28380201 0.86 JAK3 (0.65) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL15664424 0.85 JAK3 (0.60) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL15619027 0.84 JAK1 (0.46) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL2019902 0.81 JAK3 (0.62) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL29436071 0.81 KIT (0.66) JAK3JAK1AKT2GSK3BJAK2
SCHEMBL12612084 0.81 PBK (0.48) JAK3JAK1JAK2DOT1LBTK
SCHEMBL22645626 0.81 AKT2 (0.69) JAK3JAK1AKT2GSK3BJAK2

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-105732636-B Heteroaromatic compounds and their use in medicine 广东东阳光药业有限公司 2020-04-21 CN disclosed
CN-105732636-A Hetero-aromatic compounds and applications thereof in pharmacy 广东东阳光药业有限公司 2016-07-06 CN disclosed