SCHEMBL8435291

SCHEMBL8435291

CCc1nn(-c2ccc(F)cc2)c2c1CCNC2=S

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 0.53
PDE4B Q07343 10/20 0.53
PDE4C Q08493 10/20 0.53
PDE4D Q08499 10/20 0.53
ALDH1A1 P00352 2/20 0.35
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
KDM4E B2RXH2 1/20 0.34
TP53 P04637 1/20 0.34
HPGD P15428 1/20 0.34
CCNA2 P20248 1/20 0.33
CDK2 P24941 1/20 0.33
CCNA1 P78396 1/20 0.33
KHK P50053 1/20 0.33
DHFR P00374 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
HTR7 P34969 1/20 0.33
HTR2B P41595 1/20 0.33

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
SCHEMBL7376871 0.86 PDE4A (0.60) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7484959 0.75 PDE4A (0.56) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL7380088 0.72 PDE4A (0.44) PDE4APDE4BPDE4CPDE4D
SCHEMBL7369320 0.68 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DHTR2A
SCHEMBL7374330 0.67 PDE4A (1.00) PDE4APDE4BPDE4CPDE4D
SCHEMBL7195770 0.64 PDE4A (0.51) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL28150069 0.61 MAPT (0.49) PDE4APDE4BPDE4CPDE4DKDM4E
SCHEMBL8552603 0.61 PDE4A (0.48) PDE4APDE4BPDE4CPDE4DALDH1A1
SCHEMBL19110606 0.60 KCNH2 (0.40) HTR7
SCHEMBL18505911 0.60

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6004974-A PHOSPHODIESTERASE AND TUMOR NECROSIS FACTOR INHIBITORS; ANTIINFLAMMATORY AND ANTIASTHMA AGENTS PFIZER INC (US) 1999-12-21 US disclosed