SCHEMBL16976375

SCHEMBL16976375

O=Nc1ccc2c(c1)C(=O)NCCO2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP6 P51161 1/20 0.65
MAPKAPK2 P49137 1/20 0.41
MAPT P10636 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GSK3B P49841 2/20 0.38
KDM4E B2RXH2 1/20 0.37
JAK2 O60674 8/20 0.37
NTRK1 P04629 8/20 0.37
PDE3B Q13370 2/20 0.35
PDE3A Q14432 2/20 0.35
BRD4 O60885 1/20 0.35
JAK3 P52333 3/20 0.34
ALK Q9UM73 3/20 0.34
ROS1 P08922 2/20 0.34
JAK1 P23458 2/20 0.34
PLK4 O00444 1/20 0.34
NTRK3 Q16288 1/20 0.34
NTRK2 Q16620 1/20 0.34

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
SCHEMBL16976359 0.87 FABP6 (0.53) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL29783371 0.79 FABP6 (1.00) FABP6JAK2NTRK1JAK3ALK
SCHEMBL29384774 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL2060404 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL3125131 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL886670 0.79 FABP6 (1.00) FABP6JAK2NTRK1JAK3ALK
SCHEMBL31597716 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL2983127 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL22131596 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA
SCHEMBL2062754 0.79 FABP6 (0.67) FABP6MAPKAPK2MAPTALDH1A1GAA

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-2222647-B1 FUSED BICYCLIC DERIVATIVES OF 2,4-DIAMINOPYRIMIDINE AS ALK AND C-MET INHIBITORS CEPHALON INC (US) 2015-08-05 EP disclosed