SCHEMBL3233314

SCHEMBL3233314

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ncccc4C#N)CC3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.60
▸ KCNH2 Q12809 1/20 0.58
▸ SCN5A Q14524 1/20 0.58
▸ CSNK2A1 P68400 2/20 0.47
▸ PANK3 Q9H999 1/20 0.47

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
SCHEMBL3245242 0.88 SCN9A (0.65) SCN9AKCNH2SCN5ACSNK2A1
SCHEMBL3248394 0.83 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3239518 0.81 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL3239667 0.81 SCN9A (0.76) SCN9AKCNH2SCN5A
SCHEMBL3247165 0.81 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3238316 0.80 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3249544 0.80 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL3252406 0.79 SCN9A (0.61) SCN9AKCNH2SCN5ACSNK2A1
SCHEMBL3120372 0.79 SCN9A (0.65) SCN9AKCNH2SCN5ACSNK2A1
SCHEMBL3247138 0.79 SCN9A (0.74) 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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