SCHEMBL3701571

SCHEMBL3701571

CNS(=O)(=O)c1ccc(CNc2nc(N3CCN(C)CC3)c3nc(-c4ccc(F)cc4)nnc3n2)cc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 2/20 0.44
HRH1 P35367 1/20 0.44
TLR9 Q9NR96 3/20 0.40
TLR7 Q9NYK1 3/20 0.40
PTGS2 P35354 7/20 0.39
HRH3 Q9Y5N1 1/20 0.38
PTGS1 P23219 1/20 0.37
HTR6 P50406 2/20 0.37
MAPT P10636 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 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
SCHEMBL3777960 0.91 GHSR (0.40) TLR9TLR7PTGS2PTGS1KMT2A
SCHEMBL3707756 0.91 HRH4 (0.47) HRH4HRH1TLR9TLR7PTGS2
SCHEMBL3781010 0.90 HRH4 (0.52) HRH4HRH1TLR9TLR7HRH3
SCHEMBL3709878 0.89 HRH4 (0.43) HRH4HRH1TLR9TLR7PTGS2
SCHEMBL3704626 0.86 HRH4 (0.52) HRH4HRH1TLR9TLR7HRH3
SCHEMBL3788619 0.81 HRH4 (0.45) HRH4HRH1TLR9TLR7HRH3
SCHEMBL3710057 0.80 CA1 (0.49) HRH4PTGS2HRH3HTR6
SCHEMBL3779078 0.80 MTOR (0.42) PTGS2
SCHEMBL3780612 0.80 GHSR (0.39) TLR9TLR7PTGS2PTGS1KMT2A
SCHEMBL3783407 0.79 CA1 (0.42) PTGS2PTGS1MAPT

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 3 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 claimed
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