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Sugi Predict / Compounds / SCHEMBL322833

SCHEMBL322833

SCHEMBL322833

N#CCCNS(=O)(=O)c1ccc(C(=O)N2CCN(c3ncnc4[nH]ccc34)CC3(CC3)C2)cc1.Nc1nc(N2CCCN(Cc3ccccc3)C3(CC3)C2)c2cc[nH]c2n1.Nc1nc(N2CCN(Cc3ccccc3)CC3(CC3)C2)c2cc[nH]c2n1

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ JAK3 P52333 19/20 0.45
▸ LCK P06239 6/20 0.39
▸ KIT P10721 1/20 0.38
▸ JAK2 O60674 2/20 0.38

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
SCHEMBL322764 0.82 JAK3 (0.57) JAK3LCKKITJAK2
SCHEMBL325103 0.79 JAK3 (0.56) JAK3LCKJAK2
SCHEMBL1050679 0.75 JAK3 (0.60) JAK3LCKJAK2
SCHEMBL323377 0.72 JAK3 (0.65) JAK3LCKJAK2
SCHEMBL323361 0.72 JAK1 (0.55) JAK3KITJAK2
SCHEMBL10230018 0.72 JAK3 (0.62) JAK3LCKKITJAK2
SCHEMBL322735 0.71 HRH4 (0.49) JAK3JAK2
SCHEMBL323196 0.71 KIT (0.58) JAK3LCKKITJAK2
SCHEMBL323479 0.71 KIT (0.48) JAK3LCKKITJAK2
SCHEMBL318828 0.71 JAK3 (0.86) JAK3LCKJAK2

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
EP-2590981-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF Leo Pharma A/S (DK) 2013-05-15 — — EP claimed
WO-2012003829-A1 NOVEL HOMOPIPERAZINE DERIVATIVES AS PROTEIN TYROSINE KINASE INHIBITORS AND PHARMACEUTICAL USE THEREOF LEO PHARMA A/S (DK) 2012-01-12 — — WO claimed