SCHEMBL3777960

SCHEMBL3777960

CNS(=O)(=O)c1ccc(CNc2nc(N3CCOCC3)c3nc(-c4ccc(F)cc4)nnc3n2)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GHSR Q92847 1/20 0.40
PIK3CA P42336 6/20 0.39
PTGS2 P35354 6/20 0.39
MTOR P42345 4/20 0.38
PIK3R1 P27986 2/20 0.38
MEN1 O00255 2/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
PTGS1 P23219 1/20 0.37
NAMPT P43490 1/20 0.36
TLR9 Q9NR96 1/20 0.36
TLR7 Q9NYK1 1/20 0.36
PIK3CG P48736 1/20 0.36

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
SCHEMBL3701571 0.91 HRH4 (0.44) PTGS2KMT2APTGS1TLR9TLR7
SCHEMBL3779078 0.90 MTOR (0.42) GHSRPIK3CAPTGS2MTORPIK3R1
SCHEMBL3702614 0.89 HTT (0.42) PIK3CAMTORMEN1ALDH1A1KMT2A
SCHEMBL3780612 0.89 GHSR (0.39) GHSRPIK3CAPTGS2MTORMEN1
SCHEMBL3779641 0.85 HTT (0.50) PIK3CAMEN1ALDH1A1KMT2ALMNA
SCHEMBL3791449 0.81 PDE10A (0.49) PIK3CAMTORMEN1ALDH1A1KMT2A
SCHEMBL3707756 0.81 HRH4 (0.47) PTGS2TLR9TLR7
SCHEMBL13286093 0.81 TLR9 (0.44) PIK3CAMTORTLR9TLR7PIK3CG
SCHEMBL3781010 0.80 HRH4 (0.52) ALDH1A1TLR9TLR7
SCHEMBL3709878 0.80 HRH4 (0.43) PTGS2PTGS1TLR9TLR7

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
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed
WO-2010083645-A1 PYRIMIDO[5,4-e][1,2,4]TRIAZINES AND USES THEREOF SHANGHAI TARGETDRUG CO., LTD (CN) 2010-07-29 WO disclosed