SCHEMBL2594924

SCHEMBL2594924

Nc1c(-c2ccc3scnc3c2)cnc2ccc(SCCN3CCOCC3)cc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.39
MTOR P42345 2/20 0.39
MAP3K11 Q16584 1/20 0.37
FGFR1 P11362 1/20 0.35
RIPK1 Q13546 1/20 0.35
RIPK3 Q9Y572 1/20 0.35
CYP1A2 P05177 6/20 0.34
CYP3A4 P08684 6/20 0.34
CYP2D6 P10635 6/20 0.34
CLK4 Q9HAZ1 6/20 0.34
USP2 O75604 4/20 0.34
MAPK1 P28482 2/20 0.34
ALDH1A1 P00352 2/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
JAK2 O60674 2/20 0.34
KIT P10721 1/20 0.33
IRAK4 Q9NWZ3 1/20 0.33
CYP2C19 P33261 2/20 0.33
ACVR1 Q04771 1/20 0.33

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
SCHEMBL2585625 0.78 RIPK3 (0.35) MAP3K11RIPK1RIPK3PIM1PIM2
SCHEMBL2585288 0.76 CD38 (0.33) RIPK1RIPK3PIM1PIM2
SCHEMBL14717763 0.75 RIPK2 (0.50) PIK3CAMTORRIPK1RIPK3
SCHEMBL2595034 0.72 RIPK3 (0.34) MAP3K11RIPK1RIPK3PIM1PIM2
SCHEMBL2595324 0.68 RIPK2 (0.38) RIPK1RIPK3
SCHEMBL2594418 0.67 PIK3CA (0.41) PIK3CAMTOR
SCHEMBL2588243 0.66 RIPK3 (0.39) MAP3K11RIPK1RIPK3PIM1PIM2
SCHEMBL2588246 0.66 RIPK3 (0.36) MAP3K11RIPK1RIPK3PIM1PIM2
SCHEMBL2595020 0.65 PDE4B (0.50) RIPK1RIPK3
SCHEMBL2595613 0.64 RIPK2 (0.35) RIPK1RIPK3

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
EP-2566477-A1 AMINO-QUINOLINES AS KINASE INHIBITORS Glaxo Group Limited (GB) 2013-03-13 EP disclosed
WO-2011140442-A1 AMINO-QUINOLINES AS KINASE INHIBITORS GLAXO GROUP LIMITED (GB) 2011-11-10 WO disclosed