SCHEMBL31453017

SCHEMBL31453017

COc1cc2nc(-c3ccccc3)nc(NCCN3CCN(C)CC3)c2cc1OC

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 4/20 0.72
POLB P06746 1/20 0.60
HPGD P15428 1/20 0.60
UBE2N P61088 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
CYP1A2 P05177 2/20 0.59
CYP3A4 P08684 2/20 0.59
CYP2D6 P10635 2/20 0.59
CLK4 Q9HAZ1 2/20 0.59
USP2 O75604 2/20 0.59
HSD17B10 Q99714 2/20 0.59
CYP2C19 P33261 1/20 0.59
PGK1 P00558 2/20 0.57
KMT5A Q9NQR1 2/20 0.57
KDM4E B2RXH2 2/20 0.54
MAPT P10636 2/20 0.54
ALDH1A1 P00352 1/20 0.54
WHR1 P49842 2/20 0.54
STAT6 P42226 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53

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
SCHEMBL31453016 0.86 TLR9 (0.60) TLR9POLBHPGDUBE2NTDP1
SCHEMBL3972349 0.85 TLR9 (0.66) TLR9POLBHPGDUBE2NTDP1
SCHEMBL29360163 0.84 TLR9 (1.00) TLR9CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL12175518 0.84 TLR9 (1.00) TLR9CYP1A2CYP3A4CYP2D6CLK4
SCHEMBL31453014 0.81 HTT (0.65) TLR9PGK1KMT5AKDM1AEHMT2
SCHEMBL1084058 0.80 CYP1A2 (0.65) TLR9POLBHPGDCYP1A2CYP3A4
SCHEMBL31453013 0.80 TLR9 (0.57) TLR9POLBCYP1A2CYP3A4CYP2D6
SCHEMBL31612806 0.78 CYP1A2 (0.66) TLR9POLBTDP1CYP1A2CYP3A4
SCHEMBL1085578 0.78 CYP1A2 (0.79) TLR9POLBCYP1A2CYP3A4CYP2D6
SCHEMBL14233119 0.77 TLR9 (0.64) TLR9USP2HSD17B10ACP1ALOX15

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119751364-A Dimethoxy quinazoline compound and application thereof 中日友好医院(中日友好临床医学研究所) 2025-04-04 CN disclosed