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Sugi Predict / Compounds / SCHEMBL4744848

SCHEMBL4744848

SCHEMBL4744848

CN1CCN(c2ccc(-n3c4nc(=O)n(CCCN5CCCC5)c(=O)c-4nc4ccc(NCCCN5CCCC5)cc43)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GSR P00390 2/20 0.40
▸ MC4R P32245 1/20 0.39
▸ MCHR1 Q99705 3/20 0.38
▸ TLR9 Q9NR96 1/20 0.38
▸ HRH3 Q9Y5N1 6/20 0.37
▸ KCNH2 Q12809 4/20 0.37
▸ HTR7 P34969 3/20 0.35
▸ FLT3 P36888 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
SCHEMBL14069128 0.94 MC4R (0.41) GSRMC4RMCHR1TLR9HRH3
SCHEMBL4744753 0.89 ACP1 (0.40) GSRMC4RMCHR1HRH3KCNH2
SCHEMBL4748222 0.89 HRH3 (0.47) GSRMC4RMCHR1TLR9HRH3
SCHEMBL4747565 0.87 GSR (0.48) GSRTLR9HTR7
SCHEMBL4747148 0.86 HRH3 (0.39) MC4RTLR9HRH3
SCHEMBL4743800 0.84 HRH3 (0.38) MC4RHRH3
SCHEMBL4743769 0.83 LCK (0.41) GSRMC4RTLR9
SCHEMBL4748253 0.81 GSR (0.48) GSRMC4RHTR7
SCHEMBL4743737 0.76 GSR (0.48) GSRFLT3
SCHEMBL4744199 0.75 KCNH2 (0.48) GSRMC4RHRH3KCNH2

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