SCHEMBL807161

SCHEMBL807161

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1S(=O)(=O)NC1CCCC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 4/20 0.49
PIK3CG P48736 4/20 0.41
PI4KA P42356 3/20 0.41
RAB9A P51151 1/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
POLB P06746 1/20 0.39
NPC1 O15118 1/20 0.38
PIK3CA P42336 3/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HPGD P15428 2/20 0.36
GAA P10253 1/20 0.36
PIK3C2G O75747 1/20 0.36
BMPR1B O00238 1/20 0.36
BMPR1A P36894 1/20 0.36
TGFBR1 P36897 1/20 0.36
ACVRL1 P37023 1/20 0.36
ACVR1 Q04771 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
SCHEMBL806791 0.89 PI4KA (0.43) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL790545 0.88 PIK3C3 (0.44) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL791568 0.87 PI4KA (0.43) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL789820 0.86 ALDH1A1 (0.43) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL789808 0.86 PIK3CG (0.44) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL807111 0.86 RAB9A (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL807023 0.85 PIK3CG (0.49) PIK3C3PIK3CGPI4KARAB9APIK3CA
SCHEMBL12474809 0.85 PI4KA (0.41) PIK3C3PIK3CGPI4KARAB9AALDH1A1
SCHEMBL789741 0.85 PI4KA (0.46) PIK3CGPI4KARAB9AALDH1A1KDM4E
SCHEMBL807010 0.84 SMN1; SMN2 (0.44) PIK3C3PIK3CGPI4KARAB9AALDH1A1

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-2012037108-A1 AMINOQUINOLINE DERIVATIVES AS ANTIVIRAL AGENTS GLAXOSMITHKLINE LLC (US) 2012-03-22 WO disclosed