SCHEMBL3122959

SCHEMBL3122959

CC(=O)Nc1cccc(Nc2ncnc(N[C@H](C)c3ccccc3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 1/20 0.55
▸ NPR3 P17342 4/20 0.53
▸ SCN9A Q15858 6/20 0.53
▸ KCNH2 Q12809 1/20 0.52
▸ SCN5A Q14524 1/20 0.52
▸ MAPKAPK2 P49137 1/20 0.49
▸ ABCG2 Q9UNQ0 1/20 0.49
▸ JAK2 O60674 1/20 0.48
▸ AURKA O14965 1/20 0.48
▸ AURKB Q96GD4 1/20 0.48
▸ CSNK1A1 P48729 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C8 P10632 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ EGFR P00533 1/20 0.48
▸ CAMK2D Q13557 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
SCHEMBL914191 0.80 SYK (0.61) MAP3K5CSNK1A1EGFR
SCHEMBL914009 0.80 SYK (0.61) MAP3K5CSNK1A1EGFR
SCHEMBL914008 0.80 SYK (0.61) MAP3K5CSNK1A1EGFR
SCHEMBL27736457 0.80 HSD17B10 (0.55) MAPKAPK2
SCHEMBL3243500 0.77 MAP3K5 (0.60) MAP3K5SCN9AKCNH2SCN5AABCG2
SCHEMBL915147 0.75 JAK3 (0.59) MAPKAPK2JAK2AURKAAURKB
SCHEMBL915148 0.75 JAK3 (0.59) MAPKAPK2JAK2AURKAAURKB
SCHEMBL12443884 0.75 MAP3K5 (0.63) MAP3K5ABCG2JAK2AURKAAURKB
SCHEMBL3250658 0.74 SCN9A (0.60) MAP3K5NPR3SCN9AKCNH2SCN5A
SCHEMBL3249544 0.73 SCN9A (0.75) 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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