SCHEMBL5048171

SCHEMBL5048171

Nc1nc2[nH]cnc2c(=O)n1CC(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.39
▸ KDM4E B2RXH2 2/20 0.36
▸ ALDH1A1 P00352 2/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ GDA Q9Y2T3 1/20 0.36
▸ PDE4A P27815 3/20 0.35
▸ PDE4B Q07343 3/20 0.35
▸ PDE4C Q08493 3/20 0.35
▸ PDE4D Q08499 3/20 0.35
▸ AKR1B10 O60218 1/20 0.33
▸ AKR1B1 P15121 1/20 0.33
▸ ADORA2B P29275 1/20 0.33
▸ EGLN1 Q9GZT9 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ APEX1 P27695 1/20 0.32
▸ RHEB Q15382 1/20 0.32

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
SCHEMBL6265333 0.87 PDE4A (0.46) PNPGDAPDE4APDE4BPDE4C
SCHEMBL6267419 0.84 PNP (0.40) PNPKDM4E
SCHEMBL6268075 0.84 ADORA2A (0.34) PNPGDAPDE4APDE4BPDE4C
SCHEMBL6265529 0.83 PDE4A (0.34) PNPALDH1A1GDAPDE4APDE4B
SCHEMBL9960806 0.83 PNP (0.38) PNPPDE4APDE4BPDE4CPDE4D
Propionic Acid SCHEMBL11016684 0.82 PDE4A (0.43) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL5104179 0.81 HPRT1 (0.35) —
SCHEMBL7758685 0.81 PDE4A (0.33) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6266771 0.81 CDK1 (0.36) PNPPDE4APDE4BPDE4CPDE4D
SCHEMBL6271696 0.81 PNP (0.39) PNPKDM4EALDH1A1PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 — — EP claimed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 — — WO claimed
EP-1873156-A1 Process for the preparation of 6-[[(alkoxy)carbonyl]amino]-9H-Purine-9-acetic acid and 4-[(alkoxycarbonyl)amino]-2-oxo-1(2H)-Pyrimidineacetic acid derivatives as synthons for the synthesis of peptide nucleic acids PerSeptive Biosystems, Inc. (US) 2008-01-02 — — EP disclosed
EP-0736027-B1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS INC (US) 2002-05-29 — — EP disclosed
US-6172226-B1 Synthons for the synthesis and deprotection of peptide nucleic acids under mild conditions PERSEPTIVE BIOSYSTEMS, INC. 2001-01-09 — — US disclosed
US-6133444-A PURINE PEPTIDE NUCLEIC ACIDS SYNTHONS PERSEPTIVE BIOSYSTEMS, INC. (US) 2000-10-17 — — US disclosed
EP-0840736-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PerSeptive Biosystems, Inc. (US) 1998-05-13 — — EP disclosed
EP-0792283-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1997-09-03 — — EP disclosed
WO-1996040685-A1 IMPROVED SYNTHONS FOR THE SYNTHESIS AND DEPROTECTION OF PEPTIDE NUCLEIC ACIDS UNDER MILD CONDITIONS PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-12-19 — — WO disclosed
EP-0736027-A1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS, INC. (US) 1996-10-09 — — EP disclosed
WO-1996015143-A1 SYNTHESIS OF PEPTIDE NUCLEIC ACIDS (PNAs) AND ANALOGUES VIA SUBMONOMER APPROACH CHIRON CORPORATION (US) 1996-05-23 — — WO disclosed
WO-1995017403-A1 GUANINE SYNTHONS FOR PEPTIDE NUCLEIC ACID SYNTHESIS AND METHOD FOR PRODUCTION PERSEPTIVE BIOSYSTEMS, INC. (US) 1995-06-29 — — WO disclosed
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