SCHEMBL3124619

SCHEMBL3124619

Clc1ccc(-c2cnn(C3CC[N]CC3)c2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K3 Q8IVH8 4/20 0.46
PIK3CD O00329 1/20 0.42
PIK3CA P42336 1/20 0.42
PIK3CB P42338 1/20 0.42
PI4KA P42356 1/20 0.42
PIK3CG P48736 1/20 0.42
PI4KB Q9UBF8 1/20 0.42
INPPL1 O15357 1/20 0.41
KCNH2 Q12809 3/20 0.40
PAK1 Q13153 2/20 0.40
SCN9A Q15858 1/20 0.39
BRD4 O60885 1/20 0.38
MET P08581 1/20 0.38
JAK2 O60674 1/20 0.37
IRAK4 Q9NWZ3 2/20 0.37
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
MAP4K4 O95819 1/20 0.37
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36

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
SCHEMBL3246673 0.84 RIPK1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL2299419 0.84 CHRNB2 (0.47) MAP4K3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL15942449 0.83 MAP4K3 (0.58) MAP4K3INPPL1PAK1METIRAK4
SCHEMBL3118417 0.81 ALK (0.49) MAP4K3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3118153 0.81 MAP4K3 (0.48) MAP4K3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3122986 0.81 ALK (0.47) MAP4K3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3113001 0.79 MELK (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3128159 0.78 CHRNB2 (0.52) MAP4K3PAK1SCN9AJAK2CHRNB2
SCHEMBL3247635 0.76 PIK3CD (0.40) MAP4K3PIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL3123783 0.76 BRD4 (0.48) MAP4K3BRD4MET

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