SCHEMBL4743742

SCHEMBL4743742

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

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GSR P00390 13/20 0.42
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HPGD P15428 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
DRD3 P35462 1/20 0.35
GAA P10253 1/20 0.35
THRB P10828 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
SCHEMBL4743737 0.92 GSR (0.48) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4747131 0.87 DRD3 (0.39) GSRDRD3
SCHEMBL4744753 0.87 ACP1 (0.40) GSR
SCHEMBL4747855 0.86 DRD3 (0.40) DRD3
SCHEMBL4743788 0.86 GSR (0.51) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL4743769 0.85 LCK (0.41) GSRKDM4EALDH1A1HPGD
SCHEMBL4746265 0.79 GSR (0.61) GSRKDM4EALDH1A1HPGDSMN1; SMN2
SCHEMBL14069128 0.75 MC4R (0.41) GSRKDM4EALDH1A1
SCHEMBL4748222 0.75 HRH3 (0.47) GSRALDH1A1
SCHEMBL4744848 0.75 GSR (0.40) GSR

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