SCHEMBL28384574

SCHEMBL28384574

CN(CC1CCCN1c1ncnc2[nH]ccc12)C(=O)CC#N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 20/20 1.00
▸ JAK2 O60674 5/20 0.64
▸ JAK1 P23458 3/20 0.61
▸ LCK P06239 2/20 0.52
▸ TYK2 P29597 2/20 0.49
▸ KCNH2 Q12809 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
SCHEMBL28379420 1.00 JAK3 (1.00) JAK3JAK2JAK1LCKTYK2
SCHEMBL28383413 0.83 JAK3 (0.71) JAK3JAK2JAK1LCKTYK2
SCHEMBL28386782 0.83 JAK3 (0.71) JAK3JAK2JAK1LCKTYK2
SCHEMBL28383701 0.82 JAK3 (0.75) JAK3JAK2JAK1TYK2
SCHEMBL28068302 0.82 JAK3 (0.69) JAK3JAK2JAK1LCKTYK2
SCHEMBL28379121 0.82 JAK3 (0.69) JAK3JAK2JAK1LCKTYK2
SCHEMBL15178735 0.78 JAK3 (1.00) JAK3JAK2JAK1
SCHEMBL6743217 0.76 JAK3 (0.67) JAK3JAK1LCK
SCHEMBL15170306 0.76 JAK2 (1.00) JAK3JAK2JAK1
SCHEMBL15178734 0.76 JAK2 (1.00) JAK3JAK2JAK1

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-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
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