SCHEMBL6671471

SCHEMBL6671471

CCN(CC)CCNc1nc(-c2ccc(-c3ccccc3)cc2)nc2cc(Cl)ccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.70
POLB P06746 3/20 0.62
TLR9 Q9NR96 1/20 0.60
PDE5A O76074 3/20 0.53
MEN1 O00255 2/20 0.52
KMT2A Q03164 2/20 0.52
RAD52 P43351 1/20 0.52
SMARCA2 P51531 1/20 0.52
ACP1 P24666 2/20 0.51
HMOX1 P09601 1/20 0.50
AURKA O14965 1/20 0.50
KDM4E B2RXH2 1/20 0.50
LMNA P02545 1/20 0.50
HTT P42858 1/20 0.50
HSD17B10 Q99714 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.50
FLT3 P36888 2/20 0.48
TP53 P04637 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL6670648 0.94 SLC2A1 (0.80) SLC2A1POLBTLR9PDE5AMEN1
SCHEMBL3980449 0.88 SLC2A1 (0.78) SLC2A1POLBMEN1KMT2ARAD52
SCHEMBL1085522 0.85 POLB (0.83) SLC2A1POLBTLR9PDE5AMEN1
SCHEMBL3980413 0.83 SLC2A1 (0.62) SLC2A1POLBTLR9MEN1KMT2A
SCHEMBL3973291 0.83 SLC2A1 (0.64) SLC2A1POLBMEN1KMT2ARAD52
SCHEMBL3972870 0.83 SLC2A1 (0.70) SLC2A1POLBMEN1KMT2ARAD52
SCHEMBL3974647 0.83 FLT3 (0.70) SLC2A1POLBMEN1KMT2ARAD52
SCHEMBL3972522 0.82 SLC2A1 (0.63) SLC2A1POLBMEN1KMT2AHMOX1
SCHEMBL3971151 0.82 CCR4 (0.68) SLC2A1POLBMEN1KMT2AKDM4E
SCHEMBL3976619 0.81 SLC2A1 (0.64) SLC2A1POLBMEN1KMT2ARAD52

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
WO-2004030672-A1 USE OF 4 AMINO-QUINAZOLINES AS ANTI CANCER AGENTS MERCK PATENT GMBH (DE) 2004-04-15 WO disclosed
EP-1318984-A1 4-AMINO-QUINAZOLINES MERCK PATENT GmbH (DE) 2003-06-18 EP disclosed
WO-2002024667-A1 4-AMINO-QUINAZOLINES MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed