SCHEMBL17012170

SCHEMBL17012170

N#Cc1c(C(F)(F)F)cc(-c2cccc(Cl)c2)nc1N1CCCC(Nc2ccc(C(=O)C(F)(F)F)c(N=NN)n2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 1/20 0.36
HPGD P15428 1/20 0.36
KMT2A Q03164 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MAPK1 P28482 1/20 0.35
GSK3B P49841 1/20 0.34
KHK P50053 11/20 0.33
BTK Q06187 3/20 0.33
IL1B P01584 2/20 0.33
UCHL1 P09936 1/20 0.32

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
SCHEMBL1918969 0.90 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2245172 0.79 KDM4E (0.39) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2247032 0.79 GSK3B (0.39) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL17012169 0.74 KDM4E (0.36) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2252780 0.73 JAK3 (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2249138 0.70 KDM4E (0.42) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL1919317 0.70 KDM4E (0.41) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL1919395 0.69 GSK3B (0.48) KDM4ETDP1GSK3BBTKIL1B
SCHEMBL2243917 0.69 JAK3 (0.44) KDM4EALDH1A1L3MBTL1MEN1LMNA
SCHEMBL2252675 0.69 JAK3 (0.42) KDM4EALDH1A1L3MBTL1MEN1LMNA

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-2326639-B1 SUBSTITUTED PYRIDINES AND ITS USE AS GSK3 INHIBITORS BAYER IP GMBH (DE) 2015-08-19 EP disclosed