SCHEMBL20095559

SCHEMBL20095559

CCn1cc2c(cc1=O)N(C)C(=O)[C@H](NC(=O)C(=N)/N=C/CCCc1ccccc1F)CC2

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 17/20 0.58
▸ SCN9A Q15858 1/20 0.33
▸ XIAP P98170 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
SCHEMBL20095586 1.00 RIPK1 (0.58) RIPK1SCN9AXIAP
SCHEMBL20095562 0.93 RIPK1 (0.59) RIPK1SCN9A
SCHEMBL20095394 0.93 RIPK1 (0.59) RIPK1SCN9A
SCHEMBL20095567 0.81 RIPK1 (0.53) RIPK1
SCHEMBL20095571 0.81 RIPK1 (0.53) RIPK1
SCHEMBL23432093 0.77 RIPK1 (0.59) RIPK1SCN9AXIAP
SCHEMBL20096019 0.74 RIPK1 (0.44) RIPK1
SCHEMBL21220867 0.74 RIPK1 (1.00) RIPK1
SCHEMBL21220677 0.74 RIPK1 (1.00) RIPK1
SCHEMBL20095890 0.72 RIPK1 (0.55) RIPK1

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-2018073193-A1 BICYCLIC PYRIDONE LACTAMS AND METHODS OF USE THEREOF F. HOFFMANN-LA ROCHE AG (CH) 2018-04-26 — — WO disclosed
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