SCHEMBL6062671

SCHEMBL6062671

CCOc1nc(N)nc2ncc(-c3ccc(Cl)c(Cl)c3)nc12.CCOc1nc(N)nc2ncc(-c3cccs3)nc12.CCOc1nc(N)nc2ncc(-c3ccsc3)nc12

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 7/20 0.38
PIK3CG P48736 3/20 0.36
PIK3CA P42336 1/20 0.35
PIK3CB P42338 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
PDE3A Q14432 1/20 0.35
EIF4E P06730 2/20 0.33
MET P08581 1/20 0.32
FYN P06241 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL6060884 0.92 NOS1 (0.40) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4450439 0.84 NOS1 (0.46) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3758461 0.83 NOS1 (0.43) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4448719 0.83 NOS1 (0.52) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760413 0.81 PIK3CG (0.45) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL6064269 0.79 NOS1 (0.43) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760847 0.75 NOS1 (0.44) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3758359 0.75 NOS1 (0.44) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760491 0.73 PIK3CG (0.49) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3763706 0.73 NOS1 (0.43) NOS1PIK3CGPIK3CAPIK3CBHDAC6

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-1658081-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA Bioscience nv (BE) 2006-05-24 EP claimed
WO-2005021003-A2 IMMUNOSUPPRESSIVE EFFECTS OF PTERIDINE DERIVATIVES 4 AZA BIOSCIENCE NV (BE) 2005-03-10 WO claimed