SCHEMBL8246797

SCHEMBL8246797

CCCCNC(=O)c1cnc2c(c1)nc(NC(=O)c1cccc(N)c1)n2CCNC(C)=O

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 15/20 0.64
IRAK4 Q9NWZ3 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAP3K7 O43318 1/20 0.42
KDR P35968 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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 0.90 ADORA2A (0.73) ADORA2AIRAK4
SCHEMBL8249497 0.89 ADORA2A (0.80) ADORA2A
SCHEMBL14156103 0.88 ADORA2A (0.83) ADORA2A
SCHEMBL8247550 0.83 ADORA2A (0.70) ADORA2A
SCHEMBL8249551 0.82 ADORA2A (0.72) ADORA2A
SCHEMBL8246886 0.82 ADORA2A (0.55) ADORA2AIRAK4SMN1; SMN2
SCHEMBL8246979 0.80 ADORA2A (0.66) ADORA2A
SCHEMBL4590424 0.79 ADORA2A (0.92) ADORA2A
SCHEMBL8246929 0.78 ADORA2A (0.63) ADORA2A
SCHEMBL4590042 0.78 ADORA2A (1.00) 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