SCHEMBL3247193

SCHEMBL3247193

CC(=O)Nc1cc(Nc2ncnc(N3CC=C(c4ccc(C#N)c(F)c4)CC3)n2)ccc1C

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 14/20 0.54
▸ KCNH2 Q12809 3/20 0.42
▸ SCN5A Q14524 1/20 0.42
▸ EGLN2 Q96KS0 1/20 0.40
▸ DYRK3 O43781 1/20 0.39
▸ CSNK2A2 P19784 1/20 0.39
▸ CDK2 P24941 1/20 0.39
▸ GSK3B P49841 1/20 0.39
▸ CSNK2B P67870 1/20 0.39
▸ CSNK2A1 P68400 1/20 0.39
▸ PIM3 Q86V86 1/20 0.39
▸ HIPK2 Q9H2X6 1/20 0.39
▸ BRAF P15056 2/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL3252740 0.92 SCN9A (0.53) SCN9AKCNH2SCN5AEGLN2
SCHEMBL3249796 0.89 SCN9A (0.66) SCN9AKCNH2SCN5ABTK
SCHEMBL3242507 0.87 SCN9A (0.52) SCN9AKCNH2SCN5A
SCHEMBL3249539 0.86 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3243244 0.81 SCN9A (0.53) SCN9AKCNH2SCN5A
SCHEMBL3250238 0.79 SCN9A (0.52) SCN9AKCNH2SCN5A
SCHEMBL3239053 0.77 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3244478 0.77 SCN9A (0.54) SCN9AKCNH2SCN5A
SCHEMBL3245789 0.76 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3246913 0.76 SCN9A (0.65) SCN9AKCNH2SCN5A

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
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO claimed
WO-2010022055-A2 INHIBITORS OF VOLTAGE-GATED SODIUM CHANNELS AMGEN INC. (US) 2010-02-25 — — WO disclosed
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