SCHEMBL28068464

SCHEMBL28068464

N#CCC(=O)NCC1CCN(c2ncnc3[nH]ccc23)C1

nearest known ligand 0.65

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 16/20 0.65
▸ JAK2 O60674 11/20 0.65
▸ JAK1 P23458 4/20 0.65
▸ TYK2 P29597 3/20 0.58
▸ AKT2 P31751 1/20 0.55
▸ GSK3B P49841 1/20 0.55
▸ LCK P06239 2/20 0.54
▸ STAT3 P40763 1/20 0.54

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
SCHEMBL28383701 0.82 JAK3 (0.75) JAK3JAK2JAK1TYK2
SCHEMBL20411205 0.81 JAK3 (0.75) JAK3JAK2JAK1TYK2LCK
SCHEMBL28068302 0.81 JAK3 (0.69) JAK3JAK2JAK1TYK2LCK
SCHEMBL28379121 0.81 JAK3 (0.69) JAK3JAK2JAK1TYK2LCK
SCHEMBL28384496 0.81 JAK3 (0.71) JAK3JAK2JAK1TYK2
SCHEMBL15170301 0.78 JAK2 (1.00) JAK3JAK2JAK1
SCHEMBL15170306 0.78 JAK2 (1.00) JAK3JAK2JAK1
SCHEMBL15178734 0.78 JAK2 (1.00) JAK3JAK2JAK1
SCHEMBL28068320 0.78 JAK3 (0.69) JAK3JAK2JAK1AKT2GSK3B
SCHEMBL17951088 0.78 JAK3 (0.69) JAK3JAK2JAK1TYK2

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
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