SCHEMBL23398366

SCHEMBL23398366

COc1cc(-c2cc3ncccc3c(NCCCN)n2)cc(OC)c1OC.Cc1ccc(-c2cc3ncccc3c(NCCCN)n2)cc1C

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
SYK P43405 20/20 0.67
TXK P42681 1/20 0.56
KARS1 Q15046 1/20 0.56
SLK Q9H2G2 1/20 0.56

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
SCHEMBL373979 0.93 SYK (0.74) SYKTXKKARS1SLK
SCHEMBL373563 0.90 SYK (0.80) SYKTXKKARS1SLK
SCHEMBL373742 0.83 SYK (0.71) SYKTXKKARS1SLK
SCHEMBL588835 0.82 SYK (0.73) SYKTXKKARS1SLK
SCHEMBL373599 0.81 SYK (0.88) SYKTXKKARS1SLK
SCHEMBL589047 0.81 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL13406834 0.80 SYK (1.00) SYK
SCHEMBL27969341 0.80 SYK (0.83) SYKTXKKARS1SLK
SCHEMBL374177 0.80 SYK (1.00) SYKTXKKARS1SLK
SCHEMBL13406836 0.79 SYK (1.00) SYKTXKKARS1SLK

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-3424534-B1 PHARMACEUTICAL COMPOSITIONS FOR THE TREATMENT OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR MEDIATED DISEASES VERTEX PHARMA (US) 2021-06-02 EP disclosed