SCHEMBL7758704

SCHEMBL7758704

NCCN(CCC(=O)O)C(=O)Cn1c(N)nc2nc[nH]c2c1=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 6/20 0.39
▸ PDE4B Q07343 6/20 0.39
▸ PDE4C Q08493 6/20 0.39
▸ PDE4D Q08499 6/20 0.39
▸ PNP P00491 2/20 0.33
▸ HDAC1 Q13547 2/20 0.32
▸ HDAC2 Q92769 2/20 0.32
▸ ADORA3 P0DMS8 2/20 0.32
▸ CDK2 P24941 1/20 0.32
▸ CYP1A2 P05177 2/20 0.32
▸ MGMT P16455 2/20 0.32
▸ LMNA P02545 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ ENPP1 P22413 1/20 0.31

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
SCHEMBL8343189 0.91 PDE4A (0.35) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL7758685 0.84 PDE4A (0.33) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL5048181 0.81 PNP (0.45) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL5104179 0.76 HPRT1 (0.35) —
SCHEMBL8594396 0.75 PDPK1 (0.39) HDAC1HDAC2ADORA3CDK2CYP1A2
SCHEMBL9058795 0.75 PDE4A (0.36) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6265343 0.75 PDE4A (0.55) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6265538 0.74 MGMT (0.47) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6267430 0.72 PNP (0.45) PDE4APDE4BPDE4CPDE4DPNP
SCHEMBL6268093 0.72 ADORA2A (0.42) PDE4APDE4BPDE4CPDE4DPNP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815259-B1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS PNA DIAGNOSTICS AS (DK) 2001-05-23 — — EP disclosed
EP-0815259-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS Roche Diagnostics GmbH (DE) 1998-01-07 — — EP disclosed
EP-0813610-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS Roche Diagnostics GmbH (DE) 1997-12-29 — — EP disclosed
WO-1996027680-A1 SEQUENCE-SPECIFIC DETECTION OF NUCLEIC ACIDS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
WO-1996027679-A1 MODULATION OF THE BINDING PROPERTIES OF NUCLEIC ACID BINDING PARTNERS BOEHRINGER MANNHEIM GMBH (DE) 1996-09-12 — — WO disclosed
Send feedback