SCHEMBL20095394

SCHEMBL20095394

CN1C(=O)[C@H](NC(=O)C(=N)/N=C/CCCc2ccccc2F)CCc2cn(CC3CC3)c(=O)cc21

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 17/20 0.59
▸ SCN9A Q15858 2/20 0.36

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
SCHEMBL20095562 1.00 RIPK1 (0.59) RIPK1SCN9A
SCHEMBL20095559 0.93 RIPK1 (0.58) RIPK1SCN9A
SCHEMBL20095586 0.93 RIPK1 (0.58) RIPK1SCN9A
SCHEMBL20095890 0.81 RIPK1 (0.55) RIPK1
SCHEMBL20095565 0.81 RIPK1 (0.55) RIPK1
SCHEMBL21220684 0.74 RIPK1 (1.00) RIPK1
SCHEMBL21220760 0.74 RIPK1 (1.00) RIPK1
SCHEMBL20096019 0.73 RIPK1 (0.44) RIPK1
SCHEMBL20095567 0.73 RIPK1 (0.53) RIPK1
SCHEMBL20095571 0.73 RIPK1 (0.53) 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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