SCHEMBL3250658

SCHEMBL3250658

CC(=O)Nc1cccc(Nc2ncnc(NC3CC3c3ccccc3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN9A Q15858 6/20 0.60
▸ MAP3K5 Q99683 1/20 0.51
▸ KCNH2 Q12809 1/20 0.51
▸ SCN5A Q14524 1/20 0.51
▸ PTGIR P43119 1/20 0.47
▸ KDM1A O60341 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46
▸ JAK2 O60674 1/20 0.46
▸ AURKA O14965 1/20 0.45
▸ AURKB Q96GD4 1/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ CSNK2A1 P68400 2/20 0.44
▸ SRC P12931 1/20 0.43
▸ KIT P10721 1/20 0.43
▸ FLT3 P36888 1/20 0.43
▸ NPR3 P17342 1/20 0.43
▸ SYK P43405 2/20 0.43

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
SCHEMBL6482869 0.87 EGFR (0.55) SCN9ASRC
SCHEMBL913987 0.82 SYK (0.65) SCN9AMAP3K5KCNH2AURKBSYK
SCHEMBL3240538 0.75 SCN9A (1.00) SCN9AKCNH2SCN5A
SCHEMBL3122959 0.74 MAP3K5 (0.55) SCN9AMAP3K5KCNH2SCN5AABCG2
SCHEMBL3243500 0.74 MAP3K5 (0.60) SCN9AMAP3K5KCNH2SCN5AABCG2
SCHEMBL3249544 0.72 SCN9A (0.75) SCN9AKCNH2SCN5A
SCHEMBL12443884 0.71 MAP3K5 (0.63) MAP3K5ABCG2JAK2AURKAAURKB
SCHEMBL3247315 0.70 SCN9A (0.79) SCN9AKCNH2SCN5A
SCHEMBL6998351 0.70 SMN1; SMN2 (0.57) PTGIRKDM1ASMN1; SMN2NPSR1
SCHEMBL3240604 0.69 SCN9A (0.78) 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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