SCHEMBL789741

SCHEMBL789741

COc1ncc(-c2ccc3nc(N)c(C(=O)N4CCC5(CC4)OCCO5)cc3c2)cc1S(=O)(=O)Nc1ccccc1C

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 12/20 0.46
PIK3CG P48736 11/20 0.46
RAB9A P51151 1/20 0.42
ALDH1A1 P00352 2/20 0.41
PIK3CA P42336 3/20 0.39
MTOR P42345 3/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
KDM4E B2RXH2 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL807247 0.94 PIK3CG (0.48) PI4KAPIK3CGPIK3CAMTOR
SCHEMBL789808 0.89 PIK3CG (0.44) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL798453 0.89 PIK3CG (0.43) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL807111 0.88 RAB9A (0.46) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL806791 0.87 PI4KA (0.43) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL790487 0.87 PIK3CG (0.47) PI4KAPIK3CGRAB9APIK3CAMTOR
SCHEMBL807010 0.87 SMN1; SMN2 (0.44) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL807023 0.87 PIK3CG (0.49) PI4KAPIK3CGRAB9APIK3CAMTOR
SCHEMBL791568 0.85 PI4KA (0.43) PI4KAPIK3CGRAB9AALDH1A1PIK3CA
SCHEMBL790802 0.85 PIK3CG (0.64) PI4KAPIK3CGPIK3CAMTOR

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