SCHEMBL26031922

SCHEMBL26031922

Nc1ncnn2c(C3CCC(COPNCC=O)O3)ccc12

nearest known ligand 0.34

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ DOT1L Q8TEK3 2/20 0.32
▸ POLRMT O00411 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
SCHEMBL20144215 0.83 DOT1L (0.33) DOT1LPOLRMT
SCHEMBL24058355 0.83 DOT1L (0.33) DOT1LPOLRMT
SCHEMBL24057850 0.79 DOT1L (0.31) DOT1L
SCHEMBL24058368 0.79 DOT1L (0.31) DOT1L
SCHEMBL24149121 0.78 DOT1L (0.34) DOT1L
SCHEMBL22355531 0.77 POLRMT (0.43) DOT1LPOLRMT
SCHEMBL24606310 0.77 DOT1L (0.36) DOT1LPOLRMT
SCHEMBL24340458 0.77 POLRMT (0.43) DOT1LPOLRMT
SCHEMBL24058306 0.77 POLRMT (0.35) DOT1LPOLRMT
SCHEMBL24606327 0.76 DOT1L (0.34) DOT1LPOLRMT

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-4219513-A1 CRYSTALLINE FORM OF (S)-2-ETHYLBUTYL 2-(((S)-(((2R,3S,4R,5R)-5-(4-AMINOPYRROLO[2,1-F] [1,2,4]TRIAZIN-7-YL)-5-CYANO-3,4-DIHYDROXYTETRAHYDROFURAN2-YL)METHOXY)(PHENOXY) PHOSPHORYL)AMINO)PROPANOATE Gilead Sciences, Inc. (US) 2023-08-02 — — EP disclosed
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