SCHEMBL20882129

SCHEMBL20882129

CC(C)OC(=O)CNP(OC[C@@H]1C[C@H](C#N)[C@H](c2ccc3c(N)ncnn23)O1)Oc1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.33
▸ RIPK1 Q13546 2/20 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
SCHEMBL20882171 0.91 DOT1L (0.33) DOT1L
SCHEMBL24057868 0.85 DOT1L (0.34) DOT1LRIPK1
SCHEMBL20144187 0.85 DOT1L (0.34) DOT1LRIPK1
SCHEMBL24158150 0.74 DOT1L (0.33) DOT1L
SCHEMBL20834801 0.74 DOT1L (0.34) DOT1LRIPK1
SCHEMBL24699947 0.74 BTN3A1 (0.34) DOT1LRIPK1
SCHEMBL24700006 0.74 BTN3A1 (0.34) DOT1LRIPK1
SCHEMBL24058189 0.72 DOT1L (0.33) DOT1L
SCHEMBL21116657 0.72 BCHE (0.47) —
SCHEMBL23992605 0.69 HINT1 (0.43) —

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-3150608-B1 2' -FLUORO SUBSTITUTED CARBA-NUCLEOSIDE ANALOGS FOR ANTIVIRAL TREATMENT GILEAD SCIENCES INC (US) 2019-04-10 — — EP disclosed
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