SCHEMBL22887918

SCHEMBL22887918

CN1C=C(c2cccc3nc(C(N)=O)nn23)CN1

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ NUDT1 P36639 2/20 0.33
▸ JAK1 P23458 7/20 0.32
▸ PARP1 P09874 6/20 0.32
▸ JAK2 O60674 5/20 0.31
▸ TYK2 P29597 3/20 0.31
▸ IKBKB O14920 1/20 0.31
▸ RIPK2 O43353 1/20 0.31
▸ LCK P06239 1/20 0.31
▸ SYK P43405 1/20 0.31
▸ GSK3B P49841 1/20 0.31
▸ JAK3 P52333 1/20 0.31
▸ PTK2B Q14289 1/20 0.31
▸ EGLN2 Q96KS0 1/20 0.31

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
SCHEMBL19658699 0.73 GRM2 (0.44) NUDT1JAK1LCK
SCHEMBL2730240 0.73 NUDT1 (0.62) NUDT1JAK1PARP1JAK2EGLN2
SCHEMBL22439076 0.72 KDM4E (0.43) NUDT1PARP1
SCHEMBL22888415 0.72 IRAK4 (0.43) JAK1JAK2TYK2SYKJAK3
SCHEMBL19658700 0.70 NUDT1 (0.38) NUDT1JAK1PARP1JAK2TYK2
SCHEMBL28485655 0.69 AHR (0.47) NUDT1PARP1
SCHEMBL19658956 0.69 PARP1 (0.39) NUDT1JAK1PARP1JAK2
SCHEMBL19658973 0.69 L3MBTL1 (0.36) NUDT1PARP1JAK2
SCHEMBL19659253 0.69 EGLN2 (0.50) NUDT1JAK1PARP1JAK2TYK2
SCHEMBL19659614 0.66 KDM4E (0.43) PARP1

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
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
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