SCHEMBL2480696

SCHEMBL2480696

CN1CCN(c2ccc(N)c(Cl)c2)CC1.CN1CCN(c2ccc([N+](=O)[O-])c(Cl)c2)CC1

nearest known ligand 0.71

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIRT6 Q8N6T7 7/20 0.71
MAPT P10636 4/20 0.71
ALDH1A1 P00352 1/20 0.56
HTR6 P50406 6/20 0.55
MAPK1 P28482 2/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
LMNA P02545 1/20 0.53
RECQL P46063 2/20 0.50
KDM4E B2RXH2 1/20 0.50
GAA P10253 1/20 0.50
HTT P42858 1/20 0.50
PTK2B Q14289 1/20 0.50

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
SCHEMBL520215 0.92 SIRT6 (0.69) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL30858840 0.85 MAPT (0.67) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL520755 0.85 MAPT (0.67) SIRT6MAPTALDH1A1MAPK1L3MBTL1
SCHEMBL10330200 0.84 SIRT6 (0.78) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL77148 0.84 SIRT6 (1.00) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL13395270 0.80 SIRT6 (0.54) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL14892360 0.79 SIRT6 (0.89) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL30532598 0.79 SIRT6 (0.75) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL27997682 0.79 SIRT6 (0.75) SIRT6MAPTALDH1A1HTR6MAPK1
SCHEMBL4723486 0.77 L3MBTL1 (0.51) SIRT6MAPTALDH1A1HTR6MAPK1

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-2376491-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS Cephalon, Inc. (US) 2011-10-19 EP disclosed
WO-2010071885-A1 PYRROLOTRIAZINES AS ALK AND JAK2 INHIBITORS CEPHALON, INC. (US) 2010-06-24 WO disclosed