SCHEMBL7369320

SCHEMBL7369320

CCc1nn(C2CCCC2)c2c1CCNC2=S

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 17/20 0.48
PDE4B Q07343 17/20 0.48
PDE4D Q08499 17/20 0.48
PDE4C Q08493 16/20 0.48
ADORA3 P0DMS8 1/20 0.43
ADORA2A P29274 1/20 0.43
ADORA1 P30542 1/20 0.43
HTR2A P28223 3/20 0.34
HTR2C P28335 3/20 0.34
HTR2B P41595 3/20 0.34

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
SCHEMBL6638544 0.84 PDE4A (0.54) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7374352 0.71 PDE4A (0.49) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6637350 0.69 PDE4A (0.47) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL14028559 0.68 PDE4A (0.45) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL8435291 0.68 PDE4A (0.53) PDE4APDE4BPDE4DPDE4CHTR2A
SCHEMBL210263 0.65 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7376901 0.65 PDE4A (0.65) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL6839751 0.64 PDE4A (0.79) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL7395757 0.64 PDE4A (1.00) PDE4APDE4BPDE4DPDE4CADORA3
SCHEMBL18909742 0.64 PDE7A (0.37) PDE4APDE4BPDE4DPDE4CHTR2A

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
EP-0837860-B1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO(3,4-c]-1,2,4-TRIAZOLO(4,3-ALPHA]PYRIDINES PFIZER (US) 2002-03-20 EP disclosed
US-6004974-A PHOSPHODIESTERASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AND ANTIASTHMA AGENTS PFIZER INC (US) 1999-12-21 US disclosed
EP-0837860-A1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO 3,4-c]-1,2,4-TRIAZOLO 4,3-$g(a)]PYRIDINES PFIZER INC. (US) 1998-04-29 EP disclosed
WO-1996039408-A1 TRICYCLIC 5,6-DIHYDRO-9H-PYRAZOLO[3,4-c]-1,2,4-TRIAZOLO[4,3-α]PYRIDINES PFIZER INC. (US) 1996-12-12 WO disclosed