SCHEMBL3245242

SCHEMBL3245242

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccccc4C#N)CC3)n2)c1

nearest known ligand 0.65

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 18/20 0.65
▸ KCNH2 Q12809 1/20 0.64
▸ SCN5A Q14524 1/20 0.64
▸ CSNK2A1 P68400 2/20 0.51

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
SCHEMBL3233314 0.88 SCN9A (0.60) SCN9AKCNH2SCN5ACSNK2A1
SCHEMBL3124483 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3120681 0.87 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3236267 0.87 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3250021 0.87 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3234165 0.87 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3117833 0.85 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3251032 0.85 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3248394 0.85 SCN9A (0.74) SCN9AKCNH2SCN5A
SCHEMBL3244979 0.85 SCN9A (0.73) 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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