SCHEMBL4747828

SCHEMBL4747828

CN(C)CCCn1c(=O)nc2n(C)c3cc(Cl)ccc3nc-2c1=O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.45
MPO P05164 3/20 0.43
XDH P47989 3/20 0.43
MAT2A P31153 2/20 0.39
RPS6KA3 P51812 1/20 0.39
RPS6KA2 Q15349 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
TOP2A P11388 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
SCHEMBL4743759 0.92 MPO (0.43) GSRMPOXDHMAT2ARPS6KA3
SCHEMBL4746265 0.86 GSR (0.61) GSRMPOXDHMAT2AKDM4E
SCHEMBL4743788 0.86 GSR (0.51) GSRMPOXDHMAT2ARPS6KA3
SCHEMBL4747131 0.83 DRD3 (0.39) GSR
SCHEMBL4744550 0.83 TMEM97 (0.47) GSRKDM4EALDH1A1HPGD
SCHEMBL1965168 0.79 CFTR (0.52) MPOXDHKDM4EALDH1A1HPGD
SCHEMBL4747855 0.76 DRD3 (0.40)
SCHEMBL4747745 0.75 MEN1 (0.48) GSRMPOXDHRPS6KA3RPS6KA2
SCHEMBL4746291 0.74 TMEM97 (0.49) GSR
SCHEMBL4748220 0.74 GSR (0.48) GSRKDM4EALDH1A1HPGD

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