SCHEMBL3239053

SCHEMBL3239053

CC(=O)Nc1cccc(Nc2ncnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2)c1

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.77
▸ KCNH2 Q12809 1/20 0.60
▸ SCN5A Q14524 1/20 0.60

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
SCHEMBL3249796 0.88 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3249539 0.87 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL17722167 0.87 SCN9A (1.00) SCN9A
SCHEMBL3245239 0.86 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL3245789 0.85 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3248394 0.84 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3240603 0.82 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3246264 0.82 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3128134 0.81 SCN9A (0.80) SCN9AKCNH2SCN5A
SCHEMBL3239667 0.79 SCN9A (0.76) 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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