SCHEMBL790535

SCHEMBL790535

Nc1nc2ccc(-c3cccc(NC(=O)C4(OC=O)CCCC4)c3)cc2cc1-c1ccc(N2CCOCC2)cc1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.41
PIK3CG P48736 1/20 0.41
MAP4K4 O95819 2/20 0.40
MAPK14 Q16539 4/20 0.39
JAK2 O60674 5/20 0.38
JAK3 P52333 5/20 0.38
JAK1 P23458 4/20 0.38
TYK2 P29597 3/20 0.38
ATR Q13535 2/20 0.38
BRAF P15056 1/20 0.38
FYN P06241 1/20 0.37
BTK Q06187 1/20 0.37
SYK P43405 1/20 0.37
SCN10A Q9Y5Y9 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
Formic Acid SCHEMBL790534 0.82 ALDH1A1 (0.50) PI4KAPIK3CGMAP4K4JAK2JAK3
SCHEMBL807273 0.81 ALDH1A1 (0.53) PI4KAPIK3CGMAP4K4JAK2JAK3
SCHEMBL790788 0.80 NPC1 (0.54) MAPK14JAK2JAK3JAK1TYK2
SCHEMBL789721 0.78 MAPK14 (0.51) MAPK14BRAFBTK
SCHEMBL789511 0.77 SMN1; SMN2 (0.59) MAPK14ATR
SCHEMBL789670 0.76 PI4KA (0.51) PI4KAPIK3CGFYN
SCHEMBL789696 0.74 JAK2 (0.48) PI4KAPIK3CGJAK2FYN
SCHEMBL790553 0.72 ATR (0.49) PI4KAPIK3CGMAPK14JAK2JAK3
SCHEMBL790786 0.72 ALDH1A1 (0.52) PI4KAPIK3CGMAP4K4JAK2JAK3
SCHEMBL790400 0.71 PI4KA (0.48) PI4KAPIK3CGJAK2ATRBRAF

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