SCHEMBL28068302

SCHEMBL28068302

N#CCC(=O)NC[C@@H]1CCCN1c1ncnc2[nH]ccc12

nearest known ligand 0.69

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 0.69
▸ JAK2 O60674 6/20 0.54
▸ LCK P06239 4/20 0.52
▸ JAK1 P23458 2/20 0.52
▸ TYK2 P29597 1/20 0.49

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
SCHEMBL28379121 1.00 JAK3 (0.69) JAK3JAK2LCKJAK1TYK2
SCHEMBL28379420 0.82 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2
SCHEMBL28384574 0.82 JAK3 (1.00) JAK3JAK2LCKJAK1TYK2
SCHEMBL13975681 0.82 JAK3 (0.56) JAK3JAK2LCKJAK1TYK2
SCHEMBL28068464 0.81 JAK3 (0.65) JAK3JAK2LCKJAK1TYK2
SCHEMBL28068350 0.79 JAK3 (0.67) JAK3JAK2LCKJAK1
SCHEMBL28887147 0.79 JAK3 (0.67) JAK3JAK2LCKJAK1
SCHEMBL6743217 0.79 JAK3 (0.67) JAK3LCKJAK1
SCHEMBL15209029 0.77 JAK3 (0.72) JAK3JAK2LCKJAK1TYK2
SCHEMBL15208862 0.77 JAK3 (0.72) JAK3JAK2LCKJAK1TYK2

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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