SCHEMBL2585625

SCHEMBL2585625

CCN(CC)CCSc1ccc2ncc(-c3ccc4scnc4c3)c(N)c2c1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RIPK3 Q9Y572 4/20 0.35
RIPK1 Q13546 1/20 0.35
RIPK2 O43353 9/20 0.34
LCK P06239 3/20 0.34
KDR P35968 3/20 0.34
TGFBR1 P36897 3/20 0.34
SLC2A1 P11166 1/20 0.34
PIM1 P11309 1/20 0.33
PIM2 Q9P1W9 1/20 0.33
MAP3K11 Q16584 1/20 0.32
FFAR1 O14842 1/20 0.31
DYRK1A Q13627 1/20 0.30
VRK1 Q99986 1/20 0.30

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
SCHEMBL2594924 0.78 PIK3CA (0.39) RIPK3RIPK1PIM1PIM2MAP3K11
SCHEMBL14717949 0.74 RIPK2 (0.56) RIPK3RIPK1RIPK2KDRTGFBR1
SCHEMBL2595034 0.73 RIPK3 (0.34) RIPK3RIPK1RIPK2PIM1PIM2
SCHEMBL2595291 0.72 RIPK3 (0.34) RIPK3RIPK1RIPK2TGFBR1PIM1
SCHEMBL2588246 0.72 RIPK3 (0.36) RIPK3RIPK1RIPK2LCKKDR
SCHEMBL2585288 0.71 CD38 (0.33) RIPK3RIPK1RIPK2TGFBR1PIM1
SCHEMBL2588243 0.71 RIPK3 (0.39) RIPK3RIPK1RIPK2LCKKDR
SCHEMBL2595020 0.67 PDE4B (0.50) RIPK3RIPK1RIPK2KDRTGFBR1
SCHEMBL2595324 0.67 RIPK2 (0.38) RIPK3RIPK1RIPK2KDR
SCHEMBL11823654 0.67 SLC2A1 (0.46) SLC2A1

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