SCHEMBL28814014

SCHEMBL28814014

COc1ccc(Cc2cc3ncc(-c4ccccc4)cc3c(NCCCN)n2)cc1

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SYK P43405 13/20 0.75
STK17A Q9UEE5 2/20 0.42
POLB P06746 1/20 0.42
RAD52 P43351 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
STK17B O94768 1/20 0.42
TLR8 Q9NR97 1/20 0.41
TLR7 Q9NYK1 1/20 0.41
APP P05067 1/20 0.40
DCAF15 Q66K64 1/20 0.39

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
SCHEMBL588994 0.85 SYK (1.00) SYK
SCHEMBL27982227 0.83 SYK (0.71) SYK
SCHEMBL27969513 0.77 SYK (0.68) SYKPOLBRAD52RXFP1
SCHEMBL20162364 0.76 SYK (0.79) SYK
SCHEMBL27981775 0.75 SYK (0.52) SYKTLR8TLR7
SCHEMBL27981781 0.74 SYK (0.51) SYKTLR8TLR7APPDCAF15
SCHEMBL27982207 0.73 SYK (0.52) SYKPOLBTLR8TLR7
SCHEMBL373863 0.72 SYK (0.69) SYK
SCHEMBL588879 0.71 SYK (1.00) SYK
SCHEMBL27981779 0.70 SYK (0.55) SYK

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
CN-104069112-A Substituted piperidino-dihydrothienopyrimidines BOEHRINGER INGELHEIM INT 2014-10-01 CN disclosed