SCHEMBL2932832

SCHEMBL2932832

Nc1nc(NCCN[N+]23C=C(c4ccc(F)cc4Cl)N=CC2=NC=N3)ccc1C(=O)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SCN10A Q9Y5Y9 1/20 0.33

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
Hydrochloric Acid SCHEMBL4287767 0.99 SCN10A (0.32) SCN10A
SCHEMBL2935929 0.93 GSK3B (0.33)
SCHEMBL2936764 0.92
SCHEMBL2974024 0.82 GSK3B (0.33) SCN10A
SCHEMBL2926625 0.75 CNR1 (0.33)
SCHEMBL2932471 0.69 IL1B (0.33)
Hydrochloric Acid SCHEMBL4281341 0.68 IL1B (0.32)
SCHEMBL2932555 0.68
SCHEMBL8039872 0.68 GSK3B (0.39) SCN10A
Hydrochloric Acid SCHEMBL4287764 0.67 GSK3B (0.38) SCN10A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2229392-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THEIR USE AS GSK3BETA INHIBITORS Bayer Schering Pharma Aktiengesellschaft (DE) 2010-09-22 EP disclosed
WO-2009074259-A1 TRIAZOLOTRIAZINES AND TRIAZOLOPYRAZINES AND THE USE THEREOF BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2009-06-18 WO disclosed