SCHEMBL3243775

SCHEMBL3243775

CC(=O)Nc1cccc(Nc2ncnc(Nc3ccc(Oc4ccc(Cl)cc4)cc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 10/20 0.55
▸ KCNH2 Q12809 3/20 0.55
▸ SCN5A Q14524 3/20 0.55
▸ TNNI3K Q59H18 1/20 0.54
▸ MAP3K5 Q99683 1/20 0.51
▸ P2RX3 P56373 1/20 0.51
▸ AURKA O14965 1/20 0.50
▸ AURKB Q96GD4 1/20 0.50
▸ EGFR P00533 1/20 0.49
▸ BTK Q06187 1/20 0.49
▸ JAK2 O60674 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PLK1 P53350 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
SCHEMBL3243500 0.81 MAP3K5 (0.60) SCN9AKCNH2SCN5AMAP3K5AURKA
SCHEMBL16158635 0.78 EGFR (0.58) SCN9ATNNI3KEGFRBTK
SCHEMBL14384401 0.78 MTNR1A (0.62) P2RX3POLB
SCHEMBL3245173 0.77 SCN9A (0.85) SCN9AKCNH2SCN5A
SCHEMBL28400978 0.77 EGFR (0.75) KCNH2EGFRBTKJAK2
SCHEMBL30423295 0.77 EGFR (0.75) KCNH2EGFRBTKJAK2
SCHEMBL3245142 0.76 SCN9A (0.73) SCN9AKCNH2SCN5A
SCHEMBL2219871 0.75 POLB (0.72) MAP3K5AURKAAURKBJAK2POLB
SCHEMBL11656245 0.75 KMT2A (0.69) POLB
SCHEMBL3247903 0.74 SCN9A (0.69) 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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