SCHEMBL4761994

SCHEMBL4761994

CC(=O)c1ccnc([AsH2])n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.45
KDM4E B2RXH2 6/20 0.35
KDM5A P29375 2/20 0.35
KDM3A Q9Y4C1 2/20 0.35
JMJD1C Q15652 1/20 0.35
GAA P10253 2/20 0.32
PDE3B Q13370 1/20 0.32
PDE3A Q14432 1/20 0.32
MAPT P10636 2/20 0.31
KDM6B O15054 1/20 0.31
TET3 O43151 1/20 0.31
KDM4A O75164 1/20 0.31
BBOX1 O75936 1/20 0.31
KDM5C P41229 1/20 0.31
ASPH Q12797 1/20 0.31
KDM4D Q6B0I6 1/20 0.31
TET2 Q6N021 1/20 0.31
ALKBH5 Q6P6C2 1/20 0.31
KDM7A Q6ZMT4 1/20 0.31
KDM8 Q8N371 1/20 0.31

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
SCHEMBL3590598 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL1256533 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL3590602 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL882664 0.77 ALDH1A1 (0.47) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL882674 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2012751 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL14306871 0.75 ALDH1A1 (0.45) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL12609250 0.73 ALDH1A1 (0.44) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL21935430 0.72 ALDH1A1 (0.42) ALDH1A1KDM4EKDM5AKDM3AJMJD1C
SCHEMBL2037923 0.72 KDM4E (0.49) ALDH1A1KDM4EKDM5AKDM3AJMJD1C

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-1963319-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS Nerviano Medical Sciences S.r.l. (IT) 2008-09-03 EP disclosed
WO-2007071621-A1 HETEROARYLPYRROLOPYRIDINONES ACTIVE AS KINASE INHIBITORS NERVIANO MEDICAL SCIENCES S.R.L. (IT) 2007-06-28 WO disclosed