SCHEMBL4743737

SCHEMBL4743737

CN(C)CCCNc1ccc2nc3c(=O)n(CCCN(C)C)c(=O)nc-3n(-c3ccc(F)cc3)c2c1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GSR P00390 7/20 0.48
RAD52 P43351 2/20 0.41
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
TSHR P16473 2/20 0.38
HSD17B10 Q99714 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
FLT3 P36888 2/20 0.36
MRGPRX1 Q96LB2 1/20 0.36
HPGD P15428 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CYP3A4 P08684 1/20 0.35
DRD3 P35462 1/20 0.35

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
SCHEMBL4743742 0.92 GSR (0.42) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4747131 0.88 DRD3 (0.39) GSRRAD52DRD3
SCHEMBL4747855 0.87 DRD3 (0.40) RAD52DRD3
SCHEMBL4746265 0.86 GSR (0.61) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4744753 0.79 ACP1 (0.40) GSR
SCHEMBL4743788 0.78 GSR (0.51) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14069128 0.76 MC4R (0.41) GSRKDM4EALDH1A1
SCHEMBL4744848 0.76 GSR (0.40) GSRFLT3
SCHEMBL4747828 0.72 GSR (0.45) GSRKDM4EALDH1A1HPGD
SCHEMBL4747148 0.72 HRH3 (0.39) RAD52SMN1; SMN2

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
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed
WO-2008114009-A1 10H-BENZO(G)PTERDINE-2,4-DIONE COMPOUNDS FOR THE TREATMENT OF PROLIFERATIVE DISORDERS CAMBRIDGE ENTERPRISE LTD. (GB) 2008-09-25 WO disclosed