SCHEMBL4002347

SCHEMBL4002347

CCCc1nc2ccnn2c(=O)n1Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 5/20 0.46
PDE4B Q07343 5/20 0.46
PDE4C Q08493 5/20 0.46
PDE4D Q08499 5/20 0.46
TLR7 Q9NYK1 3/20 0.44
AGTR1 P30556 1/20 0.44
AGTR2 P50052 1/20 0.44
KCNN1 Q92952 1/20 0.42
KCNN2 Q9H2S1 1/20 0.42
KCNN3 Q9UGI6 1/20 0.42
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
PPARG P37231 2/20 0.41
PIK3CA P42336 1/20 0.40
PDE5A O76074 1/20 0.40
PDE1B Q01064 2/20 0.40

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
SCHEMBL4002703 0.84 MEN1 (0.42) TLR7KCNN1KCNN2KCNN3LMNA
SCHEMBL4739125 0.72 GSK3B (0.51) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5353533 0.72 PDE4A (0.58) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL6017115 0.70 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL2348949 0.70 PDE4A (0.85) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL6512906 0.69 PDE4A (0.86) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL9029366 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5563021 0.68 PDE4A (0.64) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL4029525 0.68 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DTLR7
SCHEMBL5555670 0.68 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DTLR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009074677-A2 PYRAZOLOTRIAZINES 4SC AG (DE) 2009-06-18 WO disclosed
EP-2070932-A1 Pyrazolotriazines 4SC AG (DE) 2009-06-17 EP disclosed