SCHEMBL4780469

SCHEMBL4780469

CCOc1nc(N)nc2ncc(-c3ccc(CP(=O)(O)O)cc3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(F)cc3F)nc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 0.36
PIK3CG P48736 2/20 0.36
FEN1 P39748 3/20 0.35
ALOX5AP P20292 2/20 0.35
MPO P05164 1/20 0.33
PIK3CA P42336 1/20 0.33
MTOR P42345 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
RAB9A P51151 1/20 0.33
KLKB1 P03952 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
SCHEMBL3761241 0.88 PIK3CG (0.44) NOS1PIK3CGPIK3CA
SCHEMBL3765540 0.85 MPO (0.38) NOS1PIK3CGFEN1ALOX5APMPO
SCHEMBL4408579 0.79 NOS1 (0.50) NOS1PIK3CGMPOPIK3CA
SCHEMBL3755253 0.77 GRIN2B (0.39) NOS1PIK3CGMPOPIK3CA
SCHEMBL3764007 0.77 TLR8 (0.39) NOS1PIK3CGMPOPIK3CA
SCHEMBL3760895 0.77 MPO (0.40) NOS1PIK3CGMPOPIK3CAMAPT
SCHEMBL3764015 0.75 NOS1 (0.46) NOS1PIK3CGMPOPIK3CA
SCHEMBL3759861 0.75 PIK3CG (0.49) NOS1PIK3CGPIK3CA
SCHEMBL4452143 0.75 NOS1 (0.50) NOS1PIK3CGMPOPIK3CANPC1
SCHEMBL3760590 0.74 NEK2 (0.45) NOS1PIK3CGPIK3CA

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
WO-2008009079-A2 SUBSTITUTED PTERIDINES USEFUL FOR THE TREATMENT AND PREVENTION OF VIRAL INFECTIONS GILEAD SCIENCES, INC. (US) 2008-01-24 WO claimed