SCHEMBL20459893

SCHEMBL20459893

CC(=O)Nc1ccn([C@@H]2OC3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3C2=O)c(=O)n1

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 1/20 0.34
▸ RIN1 Q13671 1/20 0.34
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ NT5E P21589 1/20 0.30
▸ P2RY6 Q15077 1/20 0.30
▸ P2RY14 Q15391 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
SCHEMBL17192980 1.00 ABL1 (0.34) ABL1RIN1POLBMAPTNT5E
SCHEMBL15702102 1.00 ABL1 (0.34) ABL1RIN1POLBMAPTNT5E
SCHEMBL15765636 0.91 MAPT (0.33) ABL1RIN1POLBMAPTP2RY6
SCHEMBL15702099 0.91 MAPT (0.33) ABL1RIN1POLBMAPTP2RY6
SCHEMBL13672345 0.90 ABL1 (0.47) ABL1RIN1POLBMAPTNT5E
SCHEMBL12452563 0.90 ABL1 (0.47) ABL1RIN1POLBMAPTNT5E
SCHEMBL17832132 0.84 POLB (0.37) ABL1RIN1POLBMAPTNT5E
SCHEMBL20215740 0.83 P2RY6 (0.34) ABL1RIN1POLBMAPTNT5E
SCHEMBL20459987 0.83 P2RY6 (0.34) ABL1RIN1POLBMAPTNT5E
SCHEMBL19981007 0.83 P2RY6 (0.34) ABL1RIN1POLBMAPTNT5E

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-3424510-A1 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF 2'-CYANO-2'-DEOXY-N4-PALMITOYL-1-BETA-D-ARABINOFURANOSYLCYTOSINE Cyclacel Limited (GB) 2019-01-09 — — EP disclosed
EP-2291193-B1 PREPARATION OF INTERMEDIATES USEFUL IN THE SYNTHESIS OF 2'-CYANO-2'-DEOXY-N4-PALMITOYL-1-BETA-D-ARABINOFURANOSYLCYTOSINE CYCLACEL LTD (GB) 2018-08-08 — — EP disclosed
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