SCHEMBL7945503

SCHEMBL7945503

CCCNc1cc(N)c2nc(C(F)(F)F)c(=O)n(CCC)c2n1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.37
ALPL P05186 1/20 0.33
ALPI P09923 1/20 0.33
ADORA2B P29275 6/20 0.32
ADORA2A P29274 5/20 0.32
ADORA1 P30542 5/20 0.32
TMIGD3 P0DMS9 3/20 0.32
KDM4E B2RXH2 3/20 0.32
ALDH1A1 P00352 3/20 0.32
HPGD P15428 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
PIM1 P11309 1/20 0.31
EEF2K O00418 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL7937861 0.93 TLR9 (0.35) TLR9ADORA2BADORA2AADORA1TMIGD3
SCHEMBL7944093 0.84 STIM1 (0.38) TLR9ADORA2BADORA2AADORA1TMIGD3
SCHEMBL7946084 0.76 HRH4 (0.37) TLR9ADORA2BADORA2AADORA1KDM4E
SCHEMBL7937747 0.75 HSF1 (0.35) ADORA2AADORA1ALDH1A1HPGDCYP1A2
SCHEMBL7943760 0.70 CD38 (0.37) ADORA2BADORA2AADORA1TMIGD3KDM4E
SCHEMBL7943995 0.68 HSF1 (0.36) ADORA2AADORA1ALDH1A1HPGDCYP1A2
SCHEMBL7944574 0.64 HSF1 (0.36) ADORA2BADORA2AADORA1HPGD
SCHEMBL7937752 0.64 ADORA2A (0.39) ADORA2BADORA2AADORA1ALDH1A1HPGD
SCHEMBL3227728 0.64 SCN8A (0.37) ALDH1A1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL20145277 0.57 TLR8 (0.47) ALDH1A1CYP1A2LMNATP53HTT

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-2010008775-A1 AMINOPYRIDOPYRAZINONE DERIVATIVES FOR TREATING NEURODEGENERATIVE DISEASES LIGAND PHARMACEUTICALS INC. (US) 2010-01-21 WO disclosed