SCHEMBL24149678

SCHEMBL24149678

CCOC(=O)C(C)NP(=O)(OCC1CCC(C#N)(c2ccc3c(N)ncnn23)O1)Oc1ccc(C(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 1/20 0.31

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
SCHEMBL25012918 0.92 DOT1L (0.30) DOT1L
SCHEMBL24149370 0.92 DOT1L (0.31) DOT1L
SCHEMBL25012695 0.91 — —
SCHEMBL25013598 0.91 — —
SCHEMBL25012545 0.87 BTN3A1 (0.33) —
SCHEMBL24148708 0.87 CYP3A4 (0.32) —
SCHEMBL18636608 0.87 CYP3A4 (0.32) —
SCHEMBL25012565 0.86 BTN3A1 (0.34) —
SCHEMBL30939785 0.86 — —
SCHEMBL24148647 0.85 TMPRSS2 (0.42) DOT1L

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-2021262826-A2 1'-CYANO NUCLEOSIDE ANALOGS AND USES THEREOF GILEAD SCIENCES, INC. (US) 2021-12-30 — — WO disclosed
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