SCHEMBL4747565

SCHEMBL4747565

CN1CCN(c2ccc(-n3c4nc(=O)n(CCCN5CCCC5)c(=O)c-4nc4ccc(Cl)cc43)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GSR P00390 6/20 0.48
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAT2A P31153 1/20 0.41
TMEM97 Q5BJF2 4/20 0.41
TLR9 Q9NR96 2/20 0.40
BRD4 O60885 1/20 0.37

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
SCHEMBL4748253 0.94 GSR (0.48) GSRHTR1AHTR7KDM4EALDH1A1
SCHEMBL4748220 0.88 GSR (0.48) GSRHTR1AHTR7KDM4EALDH1A1
SCHEMBL4744199 0.88 KCNH2 (0.48) GSRKDM4EALDH1A1HPGDTMEM97
SCHEMBL4744848 0.87 GSR (0.40) GSRHTR7TLR9
SCHEMBL4744550 0.85 TMEM97 (0.47) GSRHTR1AHTR7KDM4EALDH1A1
SCHEMBL4746291 0.83 TMEM97 (0.49) GSRTMEM97
SCHEMBL4744200 0.82 GSR (0.46) GSRHTR1AHTR7KDM4EALDH1A1
SCHEMBL14069128 0.80 MC4R (0.41) GSRHTR7KDM4EALDH1A1TLR9
SCHEMBL4746265 0.75 GSR (0.61) GSRKDM4EALDH1A1HPGDMAT2A
SCHEMBL4743788 0.75 GSR (0.51) GSRKDM4EALDH1A1HPGDMAT2A

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