SCHEMBL2944154

SCHEMBL2944154

COc1cc(Cl)ccc1[N+](=O)[O-].COc1cc(N2CCN(C)CC2)ccc1C1(N)C=CNC(N)=N1

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 5/20 0.56
ALDH1A1 P00352 4/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 5/20 0.43
HTR6 P50406 4/20 0.43
EGFR P00533 3/20 0.42

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
SCHEMBL2944048 0.85 SIRT6 (0.42) SIRT6ALDH1A1MAPTEGFR
SCHEMBL2944157 0.83 SIRT6 (0.56) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL884825 0.75 ALDH1A1 (0.45) ALDH1A1MAPT
SCHEMBL520015 0.74 SIRT6 (1.00) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL2207091 0.71 SIRT6 (0.90) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17411235 0.69 SIRT6 (0.81) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17197285 0.67 SIRT6 (0.70) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL17164781 0.67 SIRT6 (0.82) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL1527207 0.66 SIRT6 (0.80) SIRT6ALDH1A1LMNAMAPTHTR6
SCHEMBL29537193 0.66 SIRT6 (0.80) SIRT6ALDH1A1LMNAMAPTHTR6

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-2222647-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS Cephalon, Inc. (US) 2010-09-01 EP disclosed
WO-2008051547-A1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2008-05-02 WO disclosed