SCHEMBL20834801

SCHEMBL20834801

CC(C)OC(=O)C(C)NP(OCC1CCC(c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 2/20 0.34
▸ RIPK1 Q13546 4/20 0.32
▸ TNK2 Q07912 1/20 0.30

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
SCHEMBL18666966 0.91 DOT1L (0.33) DOT1LRIPK1
SCHEMBL24158224 0.91 DOT1L (0.33) DOT1LRIPK1
SCHEMBL19504136 0.90 DOT1L (0.33) DOT1LRIPK1
SCHEMBL24058292 0.90 DOT1L (0.33) DOT1LRIPK1
SCHEMBL24057868 0.88 DOT1L (0.34) DOT1LRIPK1TNK2
SCHEMBL20144187 0.88 DOT1L (0.34) DOT1LRIPK1TNK2
SCHEMBL24158267 0.87 DOT1L (0.34) DOT1LRIPK1
SCHEMBL20834874 0.86 DOT1L (0.33) DOT1LRIPK1
SCHEMBL23711075 0.84 ALDH1A1 (0.37) DOT1LRIPK1TNK2
SCHEMBL20834454 0.84 RIPK1 (0.32) DOT1LRIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3785717-A1 METHODS FOR TREATING CORONAVIRIDAE INFECTIONS Gilead Sciences, Inc. (US) 2021-03-03 — — EP disclosed
WO-2019053696-A1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF ALIOS BIOPHARMA, INC. (US) 2019-03-21 — — WO disclosed
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