SCHEMBL4635241

SCHEMBL4635241

Cn1c(NCc2ccccc2)nc2nc(N3CCCNCC3)n(Cc3ccccc3)c2c1=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.58
MAPT P10636 5/20 0.49
ALDH1A1 P00352 4/20 0.48
PKM P14618 2/20 0.48
HIF1A Q16665 2/20 0.48
GAA P10253 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.46
PIM1 P11309 1/20 0.45
HTR3A P46098 1/20 0.45
HTT P42858 2/20 0.45
TSHR P16473 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
STAT6 P42226 1/20 0.44
KMT2A Q03164 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
SOS1 Q07889 1/20 0.44
TP53 P04637 1/20 0.43

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
SCHEMBL3971373 0.96 DPP4 (0.62) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL13217368 0.90 DPP4 (0.53) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL13200079 0.85 DPP4 (0.61) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL4077418 0.84 DPP4 (0.58) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL3974704 0.83 DPP4 (0.60) DPP4MAPTALDH1A1L3MBTL1PIM1
SCHEMBL3966257 0.83 DPP4 (0.65) DPP4MAPTALDH1A1TSHRLMNA
SCHEMBL13217530 0.82 DPP4 (0.45) DPP4MAPTALDH1A1L3MBTL1PIM1
SCHEMBL3975642 0.82 DPP4 (0.61) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL3969471 0.81 DPP4 (0.58) DPP4MAPTALDH1A1PKMHIF1A
SCHEMBL13217535 0.80 DPP4 (0.52) DPP4MAPTL3MBTL1HTR3AHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1532150-B1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2008-06-11 EP disclosed
EP-1532150-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2005-05-25 EP disclosed
WO-2004018469-A1 NOVEL PURINE DERIVATIVES, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2004-03-04 WO disclosed