SCHEMBL4635279

SCHEMBL4635279

CSc1nc2nc(N3CCCC(N)C3)n(Cc3ccccc3)c2c(=O)[nH]1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.57
TSHR P16473 3/20 0.48
NPSR1 Q6W5P4 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
FAP Q12884 1/20 0.47
ALDH1A1 P00352 3/20 0.46
HTT P42858 1/20 0.46
LMNA P02545 1/20 0.46
MAPT P10636 1/20 0.46
ALOX15 P16050 1/20 0.45

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
Hydrochloric Acid SCHEMBL3970583 0.99 DPP4 (0.56) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL6843123 0.86 TSHR (0.44) DPP4TSHRNPSR1MEN1KMT2A
Trifluoroacetic Acid SCHEMBL3971190 0.84 DPP4 (0.48) DPP4TSHRNPSR1MEN1KMT2A
SCHEMBL4636235 0.83 DPP4 (0.61) DPP4TSHRFAPALDH1A1LMNA
Hydrochloric Acid SCHEMBL3967438 0.82 DPP4 (0.60) DPP4TSHRFAPALDH1A1LMNA
SCHEMBL3971432 0.81 DPP4 (0.73) DPP4TSHRNPSR1FAPALDH1A1
SCHEMBL4635303 0.81 DPP4 (0.67) DPP4TSHRFAPALDH1A1LMNA
SCHEMBL3964227 0.81 DPP4 (0.72) DPP4TSHRNPSR1FAPALDH1A1
Hydrochloric Acid SCHEMBL3969423 0.80 DPP4 (0.66) DPP4TSHRFAPALDH1A1LMNA
SCHEMBL4668818 0.80 DPP4 (0.66) DPP4TSHRNPSR1MEN1KMT2A

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