SCHEMBL369700

SCHEMBL369700

COC(=O)c1nc2c(N3CCN(C(=O)OC(C)(C)C)CC3)cc(N(C)CC3CC3)cn2c(=O)c1OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.43
TLR7 Q9NYK1 2/20 0.43
ACHE P22303 1/20 0.39
YAP1 P46937 3/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NAPEPLD Q6IQ20 1/20 0.37
GPR119 Q8TDV5 3/20 0.37
SLC2A1 P11166 1/20 0.37
PRMT5 O14744 2/20 0.37
P2RX7 Q99572 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
SCHEMBL15092140 0.91 YAP1 (0.37) TLR9TLR7YAP1MEN1KMT2A
SCHEMBL15097407 0.82 LMNA (0.34) MEN1KMT2ANAPEPLD
SCHEMBL368710 0.82 TLR9 (0.40) TLR9TLR7ACHEYAP1MEN1
SCHEMBL369124 0.82 TLR9 (0.37) TLR9TLR7YAP1MEN1KMT2A
SCHEMBL369852 0.81 TLR9 (0.41) TLR9TLR7ACHEYAP1MEN1
SCHEMBL367643 0.80 TP53 (0.39) TLR9YAP1MEN1KMT2A
SCHEMBL15101376 0.80 PDE4B (0.39) GPR119
SCHEMBL369242 0.80 TLR9 (0.40) TLR9TLR7ACHEYAP1MEN1
SCHEMBL369125 0.78 PRMT5 (0.41) TLR9TLR7ACHEYAP1GPR119
SCHEMBL15092068 0.78 TLR9 (0.43) TLR9TLR7ACHEMEN1KMT2A

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
EP-2593460-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS Avexa Limited (AU) 2013-05-22 EP disclosed
WO-2012006680-A1 7, 9-NITROGEN RADICAL-4-OXO-4H-PYRIDO[L,2-A]PYRIMIDINE-2-CARBOXYLIC ACID BENZYLAMIDE ANTI-VIRALS AVEXA LIMITED (AU) 2012-01-19 WO disclosed