SCHEMBL3787643

SCHEMBL3787643

COc1ccc(-c2nnc3nc(NCc4ccc(F)cc4)nc(N4CCN(C5CCCCC5)CC4)c3n2)cc1OC

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 11/20 0.55
TLR7 Q9NYK1 10/20 0.55
CNR2 P34972 1/20 0.40
KMT2A Q03164 2/20 0.39
POLB P06746 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38
KDM4C Q9H3R0 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
DNMT3A Q9Y6K1 1/20 0.38
CCR4 P51679 1/20 0.37

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
SCHEMBL3778691 0.89 TLR9 (0.45) TLR9TLR7CNR2KMT2APOLB
SCHEMBL3788619 0.88 HRH4 (0.45) TLR9TLR7CNR2KMT2APOLB
SCHEMBL3789179 0.86 EHMT2 (0.42) TLR9TLR7CNR2KMT2APOLB
SCHEMBL3785017 0.86 TLR9 (0.49) TLR9TLR7CNR2KMT2APOLB
SCHEMBL3786031 0.85 CNR2 (0.42) TLR9TLR7CNR2KMT2APOLB
SCHEMBL3791449 0.85 PDE10A (0.49) CNR2KMT2APOLBKDM4EMEN1
SCHEMBL3702927 0.85 TLR7 (0.45) TLR9TLR7CNR2KMT2APOLB
SCHEMBL13285966 0.83 TSHR (0.46) TLR7CNR2ALDH1A1GAAMAPT
SCHEMBL3781321 0.83 HTR3E (0.46) TLR9TLR7CNR2KMT2APOLB
SCHEMBL13286132 0.83 TLR9 (0.49) TLR9TLR7CNR2KMT2APOLB

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