SCHEMBL4138719

SCHEMBL4138719

CCCN(CCC)c1nc2c(-c3cccnc3OC)nn(C)c2c(=O)[nH]1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.39
PDE1A P54750 2/20 0.39
PDE1B Q01064 2/20 0.39
PDE1C Q14123 2/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
BTK Q06187 1/20 0.38
KDM4E B2RXH2 1/20 0.38
CRHR1 P34998 6/20 0.37
PDE3B Q13370 1/20 0.36
PDE3A Q14432 1/20 0.36
MTOR P42345 2/20 0.35

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
SCHEMBL4000244 0.85 PDE5A (0.46) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4132060 0.82 PDE5A (0.43) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4120264 0.81 CRHR1 (0.48) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4143420 0.79 CRHR1 (0.42) PDE5AALDH1A1KDM4ECRHR1MTOR
SCHEMBL4127685 0.78 PDE5A (0.51) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4123921 0.78 PDE5A (0.42) PDE5ACRHR1
SCHEMBL4132572 0.78 MTOR (0.46) PDE5AMEN1ALDH1A1HPGDKMT2A
SCHEMBL4136240 0.77 CRHR1 (0.39) PDE5APDE1APDE1BPDE1CMEN1
SCHEMBL4140332 0.76 CRHR1 (0.41) PDE5ACRHR1
SCHEMBL4132041 0.74 MTOR (0.46) PDE5ACRHR1MTOR

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-2009071705-A1 PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO claimed
WO-2009071705-A1 PYRAZOLEPYRIMIDINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE & INFLAMMATORY DISEASES GALAPAGOS NV (BE) 2009-06-11 WO disclosed