SCHEMBL17459488

SCHEMBL17459488

CCN1CCC(Nc2snc3cc(-c4ccc(OC)c(OC)c4)cnc23)CC1.COc1ccc(-c2cnc3c(N4CCCC4)snc3c2)cc1OC

nearest known ligand 0.69

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAK O14976 20/20 0.69

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
SCHEMBL16346734 0.83 GAK (1.00) GAK
SCHEMBL16346732 0.82 GAK (1.00) GAK
SCHEMBL16346297 0.80 GAK (0.72) GAK
SCHEMBL16346282 0.79 GAK (1.00) GAK
SCHEMBL16346545 0.77 GAK (1.00) GAK
SCHEMBL18910649 0.77 GAK (0.78) GAK
SCHEMBL16345692 0.76 GAK (0.79) GAK
SCHEMBL16346277 0.76 GAK (1.00) GAK
SCHEMBL17721361 0.76 GAK (0.92) GAK
SCHEMBL16346296 0.75 GAK (0.61) GAK

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-2016012536-A1 GAK MODULATORS AS ANTIVIRALS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2016-01-28 WO claimed