SCHEMBL3249796

SCHEMBL3249796

CC(=O)Nc1cc(Nc2ncnc(N3CC=C(c4ccc(C#N)cc4)CC3)n2)ccc1C

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.66
▸ KCNH2 Q12809 1/20 0.46
▸ SCN5A Q14524 1/20 0.46
▸ BTK Q06187 1/20 0.40

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
SCHEMBL3249539 0.91 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3247193 0.89 SCN9A (0.54) SCN9AKCNH2SCN5ABTK
SCHEMBL3239053 0.88 SCN9A (0.77) SCN9AKCNH2SCN5A
SCHEMBL3245239 0.85 SCN9A (0.64) SCN9AKCNH2SCN5A
SCHEMBL3245789 0.83 SCN9A (0.63) SCN9AKCNH2SCN5A
SCHEMBL3243879 0.82 SCN9A (0.65) SCN9A
SCHEMBL3252740 0.81 SCN9A (0.53) SCN9AKCNH2SCN5A
SCHEMBL3243244 0.80 SCN9A (0.53) SCN9AKCNH2SCN5A
SCHEMBL17722167 0.80 SCN9A (1.00) SCN9A
SCHEMBL3244478 0.79 SCN9A (0.54) 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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