SCHEMBL16229229

SCHEMBL16229229

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

nearest known ligand 0.37

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.31
▸ ABL1 P00519 1/20 0.30
▸ RIN1 Q13671 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
SCHEMBL19754064 0.89 ROCK2 (0.33) ABL1RIN1
SCHEMBL14946367 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL19981007 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL1937265 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL20459987 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL10459464 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL20215740 0.89 P2RY6 (0.34) MAPTABL1RIN1
SCHEMBL14946314 0.88 MAPT (0.32) MAPTABL1RIN1
SCHEMBL30274756 0.85 ACHE (0.33) MAPTABL1RIN1
SCHEMBL30274755 0.85 ACHE (0.33) MAPTABL1RIN1

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
US-8884001-B2 Preparation of intermediates useful in the synthesis of 2′-cyano-2′-deoxy-N4-palmi-toyl-1-β-D-arabinofuranosylcytosine CYCLACEL LIMITED (GB) 2014-11-11 — — US disclosed
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