SCHEMBL4747855

SCHEMBL4747855

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

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.40
MC4R P32245 1/20 0.38
RAD52 P43351 6/20 0.38
SCD O00767 4/20 0.37
LCK P06239 2/20 0.37
RPS6KA5 O75582 1/20 0.36

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
SCHEMBL4747131 0.93 DRD3 (0.39) DRD3MC4RRAD52SCDLCK
SCHEMBL4743737 0.87 GSR (0.48) DRD3RAD52
SCHEMBL4743742 0.86 GSR (0.42) DRD3
SCHEMBL4743759 0.83 MPO (0.43) RPS6KA5
SCHEMBL4743800 0.81 HRH3 (0.38) MC4RLCK
SCHEMBL4747828 0.76 GSR (0.45)
SCHEMBL4747148 0.75 HRH3 (0.39) MC4RRAD52LCK
SCHEMBL15909979 0.73 KDM4E (0.43)
SCHEMBL4744753 0.73 ACP1 (0.40) MC4R
SCHEMBL16476450 0.72 KDM4E (0.41)

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