SCHEMBL22736025

SCHEMBL22736025

CS(=O)(=O)N1CCC(C(=O)c2ccc(-n3cc(-c4ccnc(N)c4N)cn3)nc2)CC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.38
▸ JAK2 O60674 1/20 0.37
▸ DYRK3 O43781 1/20 0.37
▸ WNT1 P04628 1/20 0.37
▸ CLK1 P49759 1/20 0.37
▸ CLK2 P49760 1/20 0.37
▸ CLK3 P49761 1/20 0.37
▸ GSK3B P49841 1/20 0.37
▸ CDK5 Q00535 1/20 0.37
▸ DYRK1A Q13627 1/20 0.37
▸ CDK5R1 Q15078 1/20 0.37
▸ DYRK2 Q92630 1/20 0.37
▸ CLK4 Q9HAZ1 1/20 0.37
▸ DYRK4 Q9NR20 1/20 0.37
▸ DYRK1B Q9Y463 1/20 0.37
▸ SLC18A3 Q16572 2/20 0.35
▸ CYP11B2 P19099 1/20 0.34
▸ MAPT P10636 2/20 0.34
▸ LMNA P02545 1/20 0.34
▸ TP53 P04637 1/20 0.34

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
SCHEMBL29480648 0.88 NPSR1 (0.35) NPSR1JAK2DYRK3WNT1CLK1
SCHEMBL22736247 0.85 SLC18A3 (0.35) SLC18A3RIPK2RETEGLN1
SCHEMBL29480674 0.83 JAK2 (0.41) NPSR1JAK2DYRK3WNT1CLK1
SCHEMBL22736529 0.74 PIK3CD (0.36) JAK2JAK1RIPK2RETEGLN1
SCHEMBL29567290 0.72 EGLN1 (0.38) EGLN1KCNH2
SCHEMBL22736535 0.70 EGLN1 (0.42) METEGLN1
SCHEMBL29480770 0.70 EGLN1 (0.42) METEGLN1
SCHEMBL22716934 0.69 NPSR1 (0.53) NPSR1SLC18A3CYP11B2MAPTLMNA
SCHEMBL29480699 0.69 NPSR1 (0.53) NPSR1SLC18A3CYP11B2MAPTLMNA
SCHEMBL22735955 0.68 MAP3K7 (0.37) MET

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
WO-2020240586-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD. (IN) 2020-12-03 — — WO disclosed
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