SCHEMBL6683469

SCHEMBL6683469

COc1ccc2c(C(=O)c3c(Cl)cncc3Cl)nnc(-c3cccc(C=CC(=O)O)c3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 1/20 0.46
PDE4B Q07343 1/20 0.46
PDE4C Q08493 1/20 0.46
PDE4D Q08499 1/20 0.46
PIM2 Q9P1W9 14/20 0.43
PIM1 P11309 3/20 0.43
THRB P10828 2/20 0.38
PADI4 Q9UM07 1/20 0.38
HTT P42858 1/20 0.38
CYP1A1 P04798 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1B1 Q16678 2/20 0.37
CYP3A4 P08684 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
ATM Q13315 1/20 0.37

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
SCHEMBL6683041 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPIM2
SCHEMBL6681005 0.83 PDE4A (0.70) PDE4APDE4BPDE4CPDE4DPIM2
SCHEMBL6587943 0.74 PDE4A (0.64) PDE4APDE4BPDE4CPDE4D
SCHEMBL6688261 0.73 PDE4A (0.71) PDE4APDE4BPDE4CPDE4DTHRB
SCHEMBL28500089 0.69 FOS (0.61) THRBHTTCYP1A1CYP1A2CYP2D6
SCHEMBL27684130 0.68 THRB (0.64) PIM2THRBHTTCYP1B1ATM
SCHEMBL28498982 0.68 THRB (0.64) PIM2THRBHTTCYP1B1ATM
SCHEMBL4699816 0.67 PDE4A (0.76) PDE4APDE4BPDE4CPDE4DCSNK2A2
SCHEMBL6685741 0.67 PDE4A (0.66) PDE4APDE4BPDE4CPDE4D
SCHEMBL80786 0.66 FOS (0.72) THRBCYP1A1CYP1A2CYP2D6CYP1B1

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-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO claimed
WO-2004056798-A1 PHTHALAZINE DERIVATIVES PHOSPHODIESTERASE 4 INHIBITORS ZAMBON GROUP S.P.A. (IT) 2004-07-08 WO disclosed