SCHEMBL8249497

SCHEMBL8249497

CCCCNC(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCCOC

nearest known ligand 0.80

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 19/20 0.80
KDM4E B2RXH2 1/20 0.51
APAF1 O14727 1/20 0.51
NSD2 O96028 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
MAPT P10636 1/20 0.51
THRB P10828 1/20 0.51
HPGD P15428 1/20 0.51
CASP1 P29466 1/20 0.51
RECQL P46063 1/20 0.51
BLM P54132 1/20 0.51
CASP7 P55210 1/20 0.51
KMT2A Q03164 1/20 0.51
ATM Q13315 1/20 0.51
HSD17B10 Q99714 1/20 0.51
TDP1 Q9NUW8 1/20 0.51

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
SCHEMBL8245612 0.96 ADORA2A (0.73) ADORA2AKDM4EAPAF1NSD2ALDH1A1
SCHEMBL8247550 0.94 ADORA2A (0.70) ADORA2A
SCHEMBL8246979 0.90 ADORA2A (0.66) ADORA2A
SCHEMBL8246797 0.89 ADORA2A (0.64) ADORA2A
SCHEMBL4590042 0.89 ADORA2A (1.00) ADORA2A
SCHEMBL8247473 0.88 ADORA2A (0.63) ADORA2A
SCHEMBL8246946 0.88 ADORA2A (0.69) ADORA2A
SCHEMBL8250081 0.88 ADORA2A (0.79) ADORA2A
SCHEMBL8246338 0.88 ADORA2A (0.63) ADORA2AKDM4EALDH1A1GAAHPGD
SCHEMBL8250598 0.88 ADORA2A (0.62) ADORA2A

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-2007022305-A2 2-AMINOIMIDAZOPYRIDINES FOR TREATING NEURODEGENERATIVE DISEASES PHARMACOPEIA, INC. (US) 2007-02-22 WO disclosed