SCHEMBL22193802

SCHEMBL22193802

CC(C)C(=O)Oc1c2n(ncc1=O)CCN(C)C2=O

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NLRP3 Q96P20 1/20 0.36
▸ POLB P06746 2/20 0.32
▸ GAA P10253 2/20 0.32
▸ ALOX5 P09917 2/20 0.32
▸ ALOX5AP P20292 2/20 0.32
▸ FEN1 P39748 2/20 0.32
▸ TDP1 Q9NUW8 1/20 0.30
▸ NPC1 O15118 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ RAB9A P51151 1/20 0.30

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
SCHEMBL22745249 0.84 POLB (0.38) POLBGAATDP1NPC1LMNA
SCHEMBL19346563 0.78 GAA (0.30) GAA
SCHEMBL28396680 0.70 NLRP3 (0.39) NLRP3POLBGAAALOX5ALOX5AP
SCHEMBL24978765 0.70 NLRP3 (0.37) NLRP3ALOX5ALOX5APFEN1
SCHEMBL22745500 0.70 POLB (0.40) POLBGAATDP1NPC1LMNA
SCHEMBL16559294 0.68 XIAP (0.34) —
SCHEMBL20939381 0.68 NLRP3 (0.42) NLRP3ALOX5ALOX5APFEN1
SCHEMBL22745239 0.68 POLB (0.34) POLBGAATDP1NPC1LMNA
SCHEMBL22745259 0.68 POLB (0.34) POLBGAATDP1NPC1LMNA
SCHEMBL20400046 0.67 NLRP3 (0.39) NLRP3ALOX5ALOX5APFEN1

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-3778603-A1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF Janssen BioPharma, Inc. (US) 2021-02-17 — — EP disclosed
EP-3030566-B1 7,8-DIHYDRO-3H-PYRAZINO[1,2-B]PYRIDAZINE-3,5(6H)-DIONE COMPOUNDS AND USES THEREOF JANSSEN BIOPHARMA INC (US) 2020-07-08 — — EP disclosed
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