SCHEMBL3661077

SCHEMBL3661077

CC(c1nc2ccccc2nc1-c1ccccc1)c1nc2ccccc2nc1-c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.55
KDM4E B2RXH2 7/20 0.52
PKM P14618 1/20 0.52
L3MBTL1 Q9Y468 6/20 0.50
ALDH1A1 P00352 6/20 0.50
LMNA P02545 5/20 0.50
GAA P10253 3/20 0.50
KMT2A Q03164 3/20 0.50
MEN1 O00255 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
AKT1 P31749 1/20 0.47
AKT2 P31751 1/20 0.47
PDE10A Q9Y233 2/20 0.47
HRH4 Q9H3N8 1/20 0.44
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MAPK1 P28482 1/20 0.42
CASP1 P29466 1/20 0.42

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
SCHEMBL1102422 0.88 TDP1 (0.55) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL24702664 0.85 TDP1 (0.56) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL732131 0.78 KDM4E (0.74) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL29382173 0.78 KDM4E (0.74) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL23776295 0.77 TDP1 (0.43) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL3584983 0.76 KMT2A (0.50) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL8020858 0.76 MAPK14 (0.54) TDP1KDM4EPKMALDH1A1KMT2A
SCHEMBL14923045 0.75 KDM4E (0.50) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL865711 0.75 KDM4E (0.71) TDP1KDM4EPKML3MBTL1ALDH1A1
SCHEMBL28710728 0.75 KDM4E (0.71) TDP1KDM4EPKML3MBTL1ALDH1A1

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-2231641-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB Pharma, S.A. (BE) 2010-09-29 EP disclosed
WO-2009081105-A2 QUINOXALINE AND QUINOLINE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-07-02 WO disclosed