SCHEMBL3377954

SCHEMBL3377954

Cn1c(=O)cnc2ccc(-c3cccc(OC(F)(F)F)c3)cc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CB P42338 1/20 0.53
PRKDC P78527 1/20 0.53
ATM Q13315 1/20 0.53
ATR Q13535 1/20 0.53
ATRIP Q8WXE1 1/20 0.53
GRIN1 Q05586 3/20 0.49
GRIN2B Q13224 3/20 0.49
PDE10A Q9Y233 1/20 0.47
MET P08581 1/20 0.43
MAPK14 Q16539 1/20 0.43
DHODH Q02127 1/20 0.42
KCNH2 Q12809 3/20 0.42
DYRK1A Q13627 1/20 0.42
SCN10A Q9Y5Y9 1/20 0.42
KIT P10721 1/20 0.42
TRPC5 Q9UL62 2/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL3412945 0.89 SCN5A (0.46) PIK3CBPRKDCATMATRATRIP
SCHEMBL3474781 0.80 PDE10A (0.44) PIK3CBPRKDCATMATRATRIP
SCHEMBL3433560 0.79 MAPK14 (0.46) PIK3CBPRKDCATMATRATRIP
SCHEMBL3377951 0.78 MAPK14 (0.45) PIK3CBPRKDCATMATRATRIP
SCHEMBL3434956 0.78 ALDH1A1 (0.54) PIK3CBPRKDCATMATRATRIP
SCHEMBL3346267 0.77 PPARG (0.49) GRIN1GRIN2BPDE10AMAPK14DHODH
SCHEMBL3379857 0.77 KDM5A (0.43) PIK3CBPRKDCATMATRATRIP
SCHEMBL3347817 0.74 ELANE (0.45) GRIN1GRIN2BPDE10AMAPK14DHODH
SCHEMBL3435814 0.74 TRPC5 (0.47) GRIN1GRIN2BPDE10AMETMAPK14
SCHEMBL3434425 0.74 GRIN2B (0.50) GRIN1GRIN2B

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
WO-2010053757-A1 2 -OXOQUINOXALIN BLOCKERS OF THE LATE SODIUM CHANNEL GILEAD PALO ALTO, INC. (US) 2010-05-14 WO disclosed