SCHEMBL29480648

SCHEMBL29480648

CS(=O)(=O)N1CCC(C(=O)c2ccc(-n3cc(-c4ccnc(N)c4[N+](=O)[O-])cn3)nc2)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 1/20 0.35
▸ JAK2 O60674 1/20 0.34
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ POLB P06746 1/20 0.34
▸ DYRK3 O43781 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ CLK2 P49760 1/20 0.34
▸ CLK3 P49761 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DYRK2 Q92630 1/20 0.34
▸ CLK4 Q9HAZ1 1/20 0.34
▸ DYRK4 Q9NR20 1/20 0.34
▸ DYRK1B Q9Y463 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 2/20 0.33
▸ SLC18A3 Q16572 2/20 0.33

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
SCHEMBL22736025 0.88 NPSR1 (0.38) NPSR1JAK2L3MBTL1DYRK3WNT1
SCHEMBL29480744 0.80 LMNA (0.44) LMNA
SCHEMBL29480674 0.79 JAK2 (0.41) NPSR1JAK2DYRK3WNT1CLK1
SCHEMBL29567643 0.79 KMT2A (0.37) L3MBTL1KMT2AMAPT
SCHEMBL22735770 0.79 KMT2A (0.37) L3MBTL1KMT2AMAPT
SCHEMBL22735925 0.76 PIK3CD (0.34) RIPK2
SCHEMBL22736247 0.76 SLC18A3 (0.35) SLC18A3RIPK2
SCHEMBL22735954 0.75 EGLN1 (0.34) —
SCHEMBL29480652 0.75 EGLN1 (0.34) —
SCHEMBL22735769 0.74 EGLN1 (0.33) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114174294-B Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2024-10-25 — — CN disclosed
EP-3976612-A1 NOVEL COMPOUNDS FOR INHIBITION OF JANUS KINASE 1 MANKIND PHARMA LTD (IN) 2022-04-06 — — EP disclosed
CN-114174294-A Novel compounds for inhibiting JANUS kinase 1 人类制药有限公司 2022-03-11 — — CN disclosed
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