SCHEMBL19658973

SCHEMBL19658973

CC(C)c1cccc2nc(C(N)=O)nn12

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ NUDT1 P36639 1/20 0.36
▸ JAK2 O60674 4/20 0.35
▸ PARP1 P09874 7/20 0.35
▸ PARP2 Q9UGN5 2/20 0.35
▸ PARP3 Q9Y6F1 2/20 0.35
▸ MAPK1 P28482 2/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ TGFBR1 P36897 1/20 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
SCHEMBL18367852 0.82 JAK2 (0.41) JAK2KDM4EALDH1A1HSD17B10
SCHEMBL22888304 0.82 RIPK1 (0.40) L3MBTL1JAK2ALDH1A1
SCHEMBL22439076 0.80 KDM4E (0.43) L3MBTL1NUDT1PARP1MAPK1KDM4E
SCHEMBL19658956 0.76 PARP1 (0.39) L3MBTL1NUDT1JAK2PARP1PARP2
SCHEMBL18366710 0.76 NUDT1 (0.56) L3MBTL1NUDT1MAPK1KDM4EALDH1A1
SCHEMBL24370916 0.74 HAVCR2 (0.38) NUDT1JAK2
SCHEMBL19659614 0.73 KDM4E (0.43) L3MBTL1PARP1MAPK1KDM4EALDH1A1
SCHEMBL24996360 0.70 NUDT1 (0.32) NUDT1
SCHEMBL19659253 0.70 EGLN2 (0.50) NUDT1JAK2PARP1
SCHEMBL22887918 0.69 NUDT1 (0.33) NUDT1JAK2PARP1

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
EP-3760625-B1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES HOFFMANN LA ROCHE (CH) 2024-03-27 — — EP claimed
EP-3760625-A1 BICYCLIC LACTAMS AS RECEPTOR-INTERACTING PROTEIN-1 (RIP1) KINASE INHIBITORS FOR TREATING E.G. INFLAMMATORY DISEASES F. Hoffmann-La Roche AG (CH) 2021-01-06 — — EP disclosed
WO-2017004500-A9 BICYCLIC LACTAMS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2017-11-30 — — WO disclosed
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