SCHEMBL3247635

SCHEMBL3247635

c1cc(-c2cnn(C3CC[N]CC3)c2)cs1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.40
PIK3CA P42336 1/20 0.40
PIK3CB P42338 1/20 0.40
PI4KA P42356 1/20 0.40
PIK3CG P48736 1/20 0.40
PI4KB Q9UBF8 1/20 0.40
MAP3K7 O43318 1/20 0.40
TAB1 Q15750 1/20 0.40
CYP2A6 P11509 5/20 0.38
KDR P35968 4/20 0.37
CHRNB2 P17787 3/20 0.36
CHRNA4 P43681 3/20 0.36
CYP2B6 P20813 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
CYP2C9 P11712 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM4 P08173 1/20 0.35
CHRM5 P08912 1/20 0.35
CHRM1 P11229 1/20 0.35

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
SCHEMBL2299419 0.78 CHRNB2 (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3246673 0.76 RIPK1 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3124619 0.76 MAP4K3 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3118417 0.72 ALK (0.49) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3122986 0.72 ALK (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3118153 0.72 MAP4K3 (0.48) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3121856 0.72 PIK3CD (0.39) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3129380 0.71 IRAK4 (0.46) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3113001 0.70 MELK (0.47) PIK3CDPIK3CAPIK3CBPI4KAPIK3CG
SCHEMBL3128159 0.70 CHRNB2 (0.52) CYP2A6CHRNB2CHRNA4CYP3A4CYP2C19

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