SCHEMBL4134650

SCHEMBL4134650

CCCc1nn(C)c2c(=O)[nH]c(N(Cc3cc(-c4ccccc4)nn3C)CC3CCCCC3)nc12

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 14/20 0.51
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
PDE1A P54750 1/20 0.41
PDE1B Q01064 1/20 0.41
PDE1C Q14123 1/20 0.41
MTOR P42345 1/20 0.40
PDE10A Q9Y233 1/20 0.39
TERT O14746 2/20 0.38
HDAC1 Q13547 3/20 0.36
HDAC6 Q9UBN7 3/20 0.36
PDE6C P51160 1/20 0.36

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
SCHEMBL8027507 0.88 PDE10A (0.38) PDE5APDE3BPDE3AKMT2APDE10A
SCHEMBL4902585 0.83 PDE5A (0.59) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL8049072 0.83 PDE5A (0.48) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL4128530 0.81 PDE5A (0.49) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL4132769 0.80 PDE5A (0.42) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL8037857 0.79 PDE5A (0.42) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL3993298 0.79 PDE5A (0.44) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL8044097 0.79 PDE5A (0.49) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL8045086 0.77 PDE5A (0.47) PDE5APDE3BPDE3AKMT2AMEN1
SCHEMBL4136868 0.77 PDE5A (0.44) PDE5APDE3BPDE3AKMT2AMEN1

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
WO-2009071706-A1 PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed