SCHEMBL2927299

SCHEMBL2927299

COc1ncnc2sc(NC(=O)ON3CCC(NCc4ccc(C(F)(F)F)nc4)CC3)nc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 1/20 0.36
PIK3CD O00329 7/20 0.35
PIK3R1 P27986 5/20 0.35
PIK3CA P42336 1/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
CSF1R P07333 3/20 0.34
NAMPT P43490 1/20 0.34
EPHX2 P34913 1/20 0.33
PDGFRB P09619 1/20 0.33
KIT P10721 1/20 0.33
PDGFRA P16234 1/20 0.33
FLT3 P36888 1/20 0.33
DDR1 Q08345 1/20 0.33
AURKB Q96GD4 1/20 0.33
PDCD1 Q15116 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
KCNQ3 O43525 1/20 0.33
KCNQ2 O43526 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
SCHEMBL1760940 0.90 PIK3CD (0.39) PIK3CGPIK3CDPIK3R1PIK3CAADORA2A
SCHEMBL2932134 0.87 PPARD (0.42) PIK3CGPIK3CDPIK3R1
SCHEMBL3047619 0.87 RIPK1 (0.37) PIK3CDPIK3CAADORA2AADORA2BADORA1
SCHEMBL2931938 0.83 PIK3CD (0.37) PIK3CGPIK3CDPIK3CAADORA2AADORA2B
SCHEMBL2929672 0.81 KCNH2 (0.36) PIK3CGPIK3CDPIK3R1ADORA2AADORA2B
SCHEMBL2930816 0.79 STAT3 (0.40)
SCHEMBL2931791 0.79 RPS6KB1 (0.37) PIK3CDADORA2AADORA2BADORA1
SCHEMBL1761042 0.77 PPARD (0.43)
SCHEMBL1761043 0.77 PIK3CD (0.40) PIK3CGPIK3CDPIK3R1PIK3CAADORA2A
SCHEMBL2931691 0.76 TAS1R3 (0.45)

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
EP-2027132-B1 THIAZOLO-PYRAMIDINE / PYRIDINE UREA DERIVATIVES AS ADENOSINE A2B RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2010-09-15 EP claimed