SCHEMBL3130499

SCHEMBL3130499

CC(=O)Nc1cccc(Nc2ncnc(N3CCN(c4ccc(Cl)c(Cl)c4)CC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 19/20 0.64
▸ KCNH2 Q12809 1/20 0.62
▸ SCN5A Q14524 1/20 0.62
▸ CCNT1 O60563 1/20 0.54
▸ CCNK O75909 1/20 0.54
▸ CYP3A4 P08684 1/20 0.54
▸ CCND3 P30281 1/20 0.54
▸ CDK9 P50750 1/20 0.54
▸ CDK6 Q00534 1/20 0.54

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
SCHEMBL3245142 0.90 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3126498 0.90 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3246606 0.89 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3250944 0.87 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3246253 0.87 SCN9A (0.67) SCN9AKCNH2SCN5A
SCHEMBL3249544 0.87 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL3131715 0.86 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3124483 0.86 SCN9A (0.68) SCN9AKCNH2SCN5A
SCHEMBL3243975 0.86 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3250903 0.85 SCN9A (0.63) 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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