SCHEMBL3236280

SCHEMBL3236280

CC(=O)Nc1cc(Nc2ncnc(N3CCN(c4ccc(C)c(C)c4)CC3)n2)ccc1Cl

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 17/20 0.76
▸ WEE1 P30291 1/20 0.49
▸ ALK Q9UM73 1/20 0.49
▸ MAPT P10636 1/20 0.47
▸ NPC1 O15118 1/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ KCNH2 Q12809 1/20 0.46
▸ SCN5A Q14524 1/20 0.46

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
SCHEMBL3252741 0.93 SCN9A (0.69) SCN9AMAPTKCNH2SCN5A
SCHEMBL3236527 0.88 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL17722083 0.86 SCN9A (1.00) SCN9ANPC1RAB9A
SCHEMBL3125831 0.85 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3246154 0.85 SCN9A (0.65) SCN9AKCNH2SCN5A
SCHEMBL3250944 0.85 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL3121899 0.84 SCN9A (0.64) SCN9AMAPTKCNH2SCN5A
SCHEMBL3251924 0.83 SCN9A (0.61) SCN9AKCNH2SCN5A
SCHEMBL3247869 0.83 SCN9A (0.66) SCN9AKCNH2SCN5A
SCHEMBL3247039 0.82 SCN9A (0.62) 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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