SCHEMBL3243500

SCHEMBL3243500

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

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAP3K5 Q99683 2/20 0.60
▸ AURKA O14965 1/20 0.58
▸ AURKB Q96GD4 1/20 0.58
▸ SCN9A Q15858 5/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ SCN5A Q14524 1/20 0.55
▸ POLB P06746 2/20 0.54
▸ ABCG2 Q9UNQ0 1/20 0.53
▸ JAK2 O60674 3/20 0.53
▸ ABL1 P00519 3/20 0.52
▸ ALDH1A1 P00352 1/20 0.51
▸ SYK P43405 1/20 0.51
▸ PDGFRB P09619 1/20 0.51
▸ SRC P12931 1/20 0.51
▸ PDGFRA P16234 1/20 0.51
▸ MAPK14 Q16539 1/20 0.51
▸ KIT P10721 1/20 0.49
▸ FLT3 P36888 1/20 0.49
▸ PLK1 P53350 1/20 0.48

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
SCHEMBL2219871 0.86 POLB (0.72) MAP3K5AURKAAURKBPOLBJAK2
SCHEMBL3246720 0.86 POLB (0.68) MAP3K5AURKAAURKBPOLBJAK2
SCHEMBL28406679 0.84 EGFR (0.51) MAP3K5AURKAAURKBSCN9AKCNH2
SCHEMBL28400866 0.83 EGFR (0.61) SRC
SCHEMBL30423172 0.83 EGFR (0.61) SRC
SCHEMBL3243775 0.81 SCN9A (0.55) MAP3K5AURKAAURKBSCN9AKCNH2
SCHEMBL2443952 0.80 AURKA (0.54) MAP3K5AURKAAURKBSCN9AKCNH2
SCHEMBL27705134 0.80 RHOA (0.62) AURKAABL1ALDH1A1SYKFLT3
SCHEMBL28406621 0.79 ABL1 (0.60) POLBABL1PDGFRBSRCPDGFRA
SCHEMBL2355018 0.79 SCN9A (0.62) SCN9A

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 1 patent. 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 disclosed
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