SCHEMBL20459987

SCHEMBL20459987

CC(=O)Nc1ccn(C2O[C@@H]3CO[Si](C(C)C)(C(C)C)O[Si](C(C)C)(C(C)C)O[C@H]3[C@H]2O)c(=O)n1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ P2RY6 Q15077 5/20 0.34
▸ P2RY14 Q15391 2/20 0.34
▸ NT5E P21589 1/20 0.34
▸ MAPT P10636 1/20 0.33
▸ ROCK2 O75116 1/20 0.33
▸ P2RY2 P41231 3/20 0.33
▸ P2RY4 P51582 3/20 0.33
▸ ABL1 P00519 1/20 0.33
▸ RIN1 Q13671 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ LMNA P02545 1/20 0.31
▸ THRB P10828 1/20 0.31
▸ MTOR P42345 1/20 0.31
▸ MDM2 Q00987 1/20 0.31
▸ NCOA1 Q15788 1/20 0.31
▸ NCOA3 Q9Y6Q9 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
SCHEMBL1937265 1.00 P2RY6 (0.34) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL19981007 1.00 P2RY6 (0.34) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL14946367 1.00 P2RY6 (0.34) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL10459464 1.00 P2RY6 (0.34) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL20215740 1.00 P2RY6 (0.34) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL14946314 0.92 MAPT (0.32) P2RY6P2RY14NT5EMAPTROCK2
SCHEMBL16229229 0.89 MAPT (0.31) MAPTABL1RIN1
SCHEMBL13151571 0.89 P2RY6 (0.47) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL6365808 0.89 P2RY6 (0.47) P2RY6P2RY14NT5EP2RY2P2RY4
SCHEMBL13672352 0.89 P2RY6 (0.47) P2RY6P2RY14NT5EP2RY2P2RY4

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-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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