SCHEMBL4779102

SCHEMBL4779102

CCOc1nc(N)nc2ncc(-c3ccc(F)c(Cl)c3)nc12.CCOc1nc(N)nc2ncc(-c3ccc(F)cc3Cl)nc12.CCOc1nc(N)nc2ncc(-c3cccc(Cl)c3Cl)nc12.CCOc1nc(N)nc2ncc(-c3ccccc3Cl)nc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALOX5AP P20292 2/20 0.35
FEN1 P39748 2/20 0.35
NOS1 P29475 5/20 0.34
PIK3CG P48736 2/20 0.34
PIK3CA P42336 1/20 0.34
PIK3CB P42338 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MPO P05164 2/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
BACE1 P56817 1/20 0.33
NUDT1 P36639 1/20 0.33
PTPN1 P18031 1/20 0.33
PDCD1 Q15116 2/20 0.32
CD274 Q9NZQ7 2/20 0.32
HSD11B1 P28845 1/20 0.32
SGK1 O00141 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
SCHEMBL3758359 0.84 NOS1 (0.44) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3760895 0.84 MPO (0.40) NOS1PIK3CGPIK3CAMPOPTPN1
SCHEMBL3755307 0.83 PTPN1 (0.44) NOS1MPOGAAL3MBTL1NUDT1
SCHEMBL3760969 0.81 L3MBTL1 (0.47) NOS1MPOGAAL3MBTL1PTPN1
SCHEMBL4781184 0.77 NOS1 (0.38) ALOX5APFEN1NOS1PIK3CGPIK3CA
SCHEMBL3760847 0.77 NOS1 (0.44) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3755253 0.77 GRIN2B (0.39) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL3765540 0.77 MPO (0.38) ALOX5APFEN1NOS1PIK3CGPIK3CA
SCHEMBL3764208 0.77 PIK3CG (0.49) NOS1PIK3CGPIK3CAPIK3CBHDAC6
SCHEMBL4450439 0.76 NOS1 (0.46) 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 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