SCHEMBL8565482

SCHEMBL8565482

FC(F)(F)c1ccc2c(Sc3cc[c]cc3)ccnc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.42
NCF1 P14598 1/20 0.42
PARP1 P09874 1/20 0.40
GAK O14976 1/20 0.39
GRM4 Q14833 1/20 0.38
SLC22A12 Q96S37 1/20 0.38
GSK3A P49840 4/20 0.37
GSK3B P49841 4/20 0.37
CLK4 Q9HAZ1 4/20 0.37
KDR P35968 4/20 0.37
DYRK1A Q13627 3/20 0.37
DYRK3 O43781 2/20 0.37
STK17A Q9UEE5 2/20 0.37
PRKD3 O94806 2/20 0.37
MAP4K4 O95819 2/20 0.37
AURKB Q96GD4 2/20 0.37
PRKD2 Q9BZL6 2/20 0.37
CLK2 P49760 2/20 0.37
CDK5 Q00535 2/20 0.37
PLK4 O00444 1/20 0.37

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
SCHEMBL8565612 0.84 MEN1 (0.48) ADRB2NCF1PARP1GAKGRM4
SCHEMBL9024092 0.77 ADRB2 (0.48) ADRB2NCF1PARP1GAKGRM4
SCHEMBL8560845 0.75 NCF1 (0.42) ADRB2NCF1SLC22A12KDRMEN1
SCHEMBL27619316 0.72 GRM4 (0.44) ADRB2NCF1PARP1GAKGRM4
SCHEMBL4419333 0.71 RAC1 (0.48) ADRB2NCF1PARP1GAKGRM4
SCHEMBL7809666 0.70 ADRB2 (0.36) ADRB2NCF1PARP1SLC22A12GSK3A
SCHEMBL7809674 0.70 TDP1 (0.40) ADRB2NCF1SLC22A12KDRDYRK1A
SCHEMBL8560980 0.70 KDR (0.56) GRM4KDRALDH1A1
SCHEMBL22854 0.70 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4
SCHEMBL31121093 0.70 ADRB2 (0.52) ADRB2NCF1PARP1GAKGRM4

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
US-5814646-A TREATING THE PROGRESSION OF ALZHEIMER'S DISEASE, BRAIN DISORDERS ELI LILLY AND COMPANY (US) 1998-09-29 US disclosed