SCHEMBL21974580

SCHEMBL21974580

CCCCc1ccc2nc(C3=CC=C(C)CC3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 2/20 0.47
TLR8 Q9NR97 6/20 0.40
PDE10A Q9Y233 1/20 0.38
BCHE P06276 2/20 0.37
KCNH2 Q12809 7/20 0.36
HRH3 Q9Y5N1 7/20 0.36
SKP2 Q13309 1/20 0.35

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
SCHEMBL6290229 0.81 PSMB5 (0.52) PSMB5TLR8PDE10ABCHEKCNH2
SCHEMBL6290855 0.76 TLR8 (0.54) PSMB5TLR8BCHE
SCHEMBL6289604 0.75 TLR8 (0.55) PSMB5TLR8BCHE
SCHEMBL11455070 0.73 PDE10A (0.57) PSMB5TLR8PDE10AKCNH2HRH3
SCHEMBL8911558 0.70 TLR8 (0.50) PSMB5TLR8
SCHEMBL28065707 0.68 TLR8 (0.53) PSMB5TLR8PDE10AKCNH2HRH3
SCHEMBL6283828 0.68 NPC1 (0.59) PSMB5TLR8
SCHEMBL31593167 0.67 SKP2 (0.55) PSMB5BCHESKP2
SCHEMBL1537772 0.67 SKP2 (0.55) PSMB5BCHESKP2
SCHEMBL7822732 0.67 NPC1 (0.61) TLR8

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-2411057-B1 IMAGING AGENTS FOR DETECTING NEUROLOGICAL DISORDERS LILLY CO ELI (US) 2020-05-06 EP disclosed