SCHEMBL3977517

SCHEMBL3977517

CCCCc1nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)n1C

nearest known ligand 0.64

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.64
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
MAPT P10636 1/20 0.52
TSHR P16473 1/20 0.52
FAP Q12884 1/20 0.51
KCNH2 Q12809 1/20 0.49

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
SCHEMBL3967436 0.97 DPP4 (0.63) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971176 0.96 DPP4 (0.62) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3966239 0.95 DPP4 (0.66) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3970708 0.94 DPP4 (0.65) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971403 0.92 DPP4 (0.67) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3964149 0.91 DPP4 (0.62) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971182 0.91 DPP4 (0.68) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971004 0.90 DPP4 (0.60) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3975833 0.90 DPP4 (0.60) DPP4ALDH1A1LMNAMAPTTSHR
SCHEMBL3971592 0.89 DPP4 (0.64) DPP4ALDH1A1LMNAMAPTTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7569574-B2 Purine derivatives, the preparation thereof and their use as pharmaceutical compositions BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2009-08-04 US disclosed
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