SCHEMBL789696

SCHEMBL789696

Nc1cccc(-c2ccc3nc(N)c(-c4ccc(N5CCOCC5)cc4)cc3c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.48
FYN P06241 1/20 0.48
PIK3CG P48736 2/20 0.47
PI4KA P42356 1/20 0.47
KDM4E B2RXH2 4/20 0.47
L3MBTL1 Q9Y468 4/20 0.47
MAPT P10636 3/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
TDP1 Q9NUW8 2/20 0.47
HPGD P15428 1/20 0.47
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
TP53 P04637 1/20 0.45
ALOX15 P16050 1/20 0.45
PIK3CA P42336 4/20 0.45
MTOR P42345 3/20 0.45
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.44

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
SCHEMBL807328 0.82 KDM4E (0.53) FYNPIK3CGPI4KAKDM4EL3MBTL1
SCHEMBL789670 0.82 PI4KA (0.51) FYNPIK3CGPI4KAKDM4EMAPT
SCHEMBL14320480 0.81 JAK2 (0.55) JAK2FYNPIK3CGMAPTALDH1A1
SCHEMBL790788 0.80 NPC1 (0.54) JAK2NPC1RAB9A
SCHEMBL789721 0.79 MAPK14 (0.51) MAPTALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL807273 0.79 ALDH1A1 (0.53) JAK2PIK3CGPI4KAL3MBTL1ALDH1A1
SCHEMBL10274687 0.77 PI4KA (0.64) JAK2FYNPIK3CGPI4KAMAPT
SCHEMBL791199 0.77 RAB9A (0.50) JAK2PIK3CGPI4KARAB9APIK3CA
SCHEMBL14320394 0.77 AGXT (0.56) JAK2PIK3CGMAPTSMN1; SMN2PIK3CA
Formic Acid SCHEMBL790534 0.76 ALDH1A1 (0.50) JAK2PIK3CGPI4KAL3MBTL1ALDH1A1

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