SCHEMBL2599607

SCHEMBL2599607

CC1COCCN1c1ccccc1Oc1cnc(N2CCOc3c(F)cccc32)nc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 1/20 0.39
MTOR P42345 19/20 0.37
PIK3CA P42336 15/20 0.37
PIK3R1 P27986 5/20 0.37
RICTOR Q6R327 3/20 0.35
RPTOR Q8N122 3/20 0.35
MAPKAP1 Q9BPZ7 3/20 0.35
MLST8 Q9BVC4 3/20 0.35
PIK3CG P48736 2/20 0.35
PIK3CD O00329 1/20 0.35
PIK3CB P42338 1/20 0.35
PIK3C3 Q8NEB9 1/20 0.35

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
SCHEMBL2599671 1.00 PDE4B (0.39) PDE4BMTORPIK3CAPIK3R1RICTOR
SCHEMBL2599605 1.00 PDE4B (0.39) PDE4BMTORPIK3CAPIK3R1RICTOR
SCHEMBL16388793 0.87 PIK3CA (0.37) MTORPIK3CAPIK3R1RICTORRPTOR
SCHEMBL2599665 0.76 PIK3CD (0.38) PDE4BPIK3CGPIK3CDPIK3CB
SCHEMBL16388498 0.76 MTOR (0.37) MTORPIK3CAPIK3R1PIK3CDPIK3C3
SCHEMBL2599612 0.74 PIK3CD (0.36) PDE4BPIK3CGPIK3CDPIK3CB
SCHEMBL2599637 0.74 APP (0.41) PDE4BPIK3CGPIK3CDPIK3CB
SCHEMBL2599656 0.73 NAAA (0.40) PIK3CGPIK3CDPIK3CB
SCHEMBL16332713 0.73 CYP17A1 (0.34) PDE4BPIK3CGPIK3CDPIK3CB
SCHEMBL2599603 0.72 MAPT (0.40) PIK3CGPIK3CDPIK3CB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP claimed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP claimed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO claimed
EP-2571872-B1 COMPOUNDS TREHERNE JOHNATHAN MARK (GB) 2014-12-31 EP disclosed
EP-2571872-A1 COMPOUNDS BTG International Limited (GB) 2013-03-27 EP disclosed
WO-2011144578-A1 COMPOUNDS SENEXIS LIMITED (GB) 2011-11-24 WO disclosed