SCHEMBL3785017

SCHEMBL3785017

CCN1CCN(c2nc(NCc3ccc(F)cc3)nc3nnc(-c4ccc(OC)c(OC)c4)nc23)CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 10/20 0.49
TLR7 Q9NYK1 8/20 0.49
CNR2 P34972 1/20 0.43
LMNA P02545 3/20 0.41
KMT2A Q03164 2/20 0.41
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MAPK1 P28482 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
POLB P06746 1/20 0.40
TP53 P04637 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
AURKA O14965 1/20 0.39

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
SCHEMBL13286132 0.92 TLR9 (0.49) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3788619 0.91 HRH4 (0.45) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3781321 0.90 HTR3E (0.46) TLR9TLR7CNR2KMT2AMAPT
SCHEMBL13285966 0.90 TSHR (0.46) TLR7CNR2MAPTSMN1; SMN2MAPK1
SCHEMBL3785493 0.90 TLR7 (0.43) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3786031 0.89 CNR2 (0.42) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3791449 0.89 PDE10A (0.49) CNR2LMNAKMT2AMAPTSMN1; SMN2
SCHEMBL3702927 0.89 TLR7 (0.45) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3789179 0.87 EHMT2 (0.42) TLR9TLR7CNR2LMNAKMT2A
SCHEMBL3787643 0.86 TLR9 (0.55) TLR9TLR7CNR2LMNAKMT2A

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