SCHEMBL20096019

SCHEMBL20096019

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

nearest known ligand 0.44

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 11/20 0.44

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
SCHEMBL20095559 0.74 RIPK1 (0.58) RIPK1
SCHEMBL20095586 0.74 RIPK1 (0.58) RIPK1
SCHEMBL20095562 0.73 RIPK1 (0.59) RIPK1
SCHEMBL20095394 0.73 RIPK1 (0.59) RIPK1
SCHEMBL20095545 0.68 — —
SCHEMBL23432087 0.62 RIPK1 (0.57) RIPK1
SCHEMBL20282558 0.62 RIPK1 (0.36) RIPK1
SCHEMBL20095554 0.61 ALDH1A1 (0.40) —
SCHEMBL21220978 0.61 RIPK1 (1.00) RIPK1
SCHEMBL20228933 0.61 TAAR1 (0.41) —

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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