SCHEMBL3707465

SCHEMBL3707465

COc1ccc(-c2nnc3nc(NCc4ccccc4)nc(N4CCN(C)CC4)c3n2)cc1OC

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 1/20 0.51
HTR6 P50406 1/20 0.48
MAPT P10636 1/20 0.46
HRH4 Q9H3N8 8/20 0.46
HRH1 P35367 6/20 0.46
HRH2 P25021 2/20 0.46
HRH3 Q9Y5N1 2/20 0.46
ADAMTS4 O75173 1/20 0.45
PDE4A P27815 1/20 0.44
PDE4B Q07343 1/20 0.44
PDE4C Q08493 1/20 0.44
PDE4D Q08499 1/20 0.44
CSNK1D P48730 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL3788619 0.91 HRH4 (0.45) TLR7MAPTHRH4HRH1HRH3
SCHEMBL3713005 0.90 PDE10A (0.48) TLR7MAPTPDE4APDE4BPDE4C
SCHEMBL13285966 0.87 TSHR (0.46) TLR7MAPT
SCHEMBL3704626 0.85 HRH4 (0.52) TLR7HRH4HRH1HRH2HRH3
SCHEMBL3785017 0.82 TLR9 (0.49) TLR7MAPTHRH4LMNA
SCHEMBL3786031 0.82 CNR2 (0.42) TLR7MAPTHRH4HRH1LMNA
SCHEMBL13286132 0.81 TLR9 (0.49) TLR7MAPTLMNA
SCHEMBL3702927 0.81 TLR7 (0.45) TLR7MAPTPDE4APDE4BPDE4C
SCHEMBL3791449 0.81 PDE10A (0.49) MAPTLMNA
SCHEMBL3785493 0.81 TLR7 (0.43) TLR7MAPTHRH4HRH1LMNA

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