SCHEMBL8890410

SCHEMBL8890410

CN(C)CCNc1nc(Cl)nc2ccccc12

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 1/20 0.65
APP P05067 3/20 0.65
POLB P06746 2/20 0.62
RAD52 P43351 2/20 0.62
SMARCA2 P51531 1/20 0.62
TOP2A P11388 1/20 0.62
PDE5A O76074 2/20 0.60
ACP1 P24666 1/20 0.60
GAA P10253 1/20 0.59
ALPG P10696 1/20 0.59
FLT3 P36888 6/20 0.58
ALDH1A1 P00352 1/20 0.56
MAPK1 P28482 1/20 0.56
NCF1 P14598 2/20 0.55

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
SCHEMBL30621755 1.00 TLR9 (0.65) TLR9APPPOLBRAD52SMARCA2
SCHEMBL30125367 0.92 POLB (0.70) TLR9APPPOLBRAD52TOP2A
SCHEMBL8906802 0.92 POLB (0.70) TLR9APPPOLBRAD52TOP2A
SCHEMBL8907169 0.86 APP (0.62) TLR9APPPOLBTOP2APDE5A
Hydrochloric Acid SCHEMBL11741441 0.85 APP (0.60) TLR9APPPOLBTOP2APDE5A
Hydrochloric Acid SCHEMBL8904749 0.85 APP (0.60) TLR9APPPOLBTOP2APDE5A
SCHEMBL1090319 0.84 TLR9 (0.67) TLR9APPPOLBRAD52SMARCA2
SCHEMBL4904310 0.83 APP (0.70) APPPDE5AACP1FLT3ALDH1A1
SCHEMBL8907554 0.82 TLR9 (0.65) TLR9POLBRAD52SMARCA2TOP2A
SCHEMBL14758284 0.81 POLB (0.86) TLR9POLBRAD52SMARCA2PDE5A

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
EP-4100395-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER Trobio Therapeutics Pty Ltd (AU) 2022-12-14 EP disclosed
WO-2021155426-A1 QUINAZOLINE COMPOUNDS AND THE USE THEREOF IN THE TREATMENT OF CANCER TroBio Therapeutics Pty Ltd (AU) 2021-08-12 WO disclosed
WO-1997020822-A1 QUINAZOLIN-2,4-DIAZIRINES AS NPY RECEPTOR ANTAGONIST NOVARTIS AG (CH) 1997-06-12 WO disclosed