SCHEMBL21159565

SCHEMBL21159565

Nc1nc(C(F)(F)F)nc(N(N)C2CCCCC2)c1N

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PDE8B O95263 2/20 0.33
GAA P10253 1/20 0.31
TLR7 Q9NYK1 1/20 0.31

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
SCHEMBL19917169 0.85 GAA (0.30) GAA
SCHEMBL21159564 0.78
SCHEMBL19917182 0.74 ABCB1 (0.32)
SCHEMBL19917095 0.74 HTT (0.31)
SCHEMBL28302322 0.72 PDE8B (0.35) PDE8BTLR7
SCHEMBL19917111 0.71 NPSR1 (0.36)
SCHEMBL19916990 0.69 JAK3 (0.42)
SCHEMBL21159272 0.69 JAK3 (0.42)
SCHEMBL20595698 0.69 PDE4A (0.34) PDE8BGAA
SCHEMBL21159616 0.66 HSD11B1 (0.31)

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-3505171-A1 BICYCLIC NITROGENATED HETEROCYCLIC COMPOUND Mitsubishi Tanabe Pharma Corporation (JP) 2019-07-03 EP disclosed