SCHEMBL4140332

SCHEMBL4140332

CCCN(CCC)c1nc2c(-c3ccc(C)nc3)nn(C)c2c(=O)[nH]1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CRHR1 P34998 9/20 0.41
PDE5A O76074 1/20 0.38

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
SCHEMBL4123921 0.85 PDE5A (0.42) CRHR1PDE5A
SCHEMBL4127685 0.84 PDE5A (0.51) CRHR1PDE5A
SCHEMBL4143420 0.83 CRHR1 (0.42) CRHR1PDE5A
SCHEMBL4126045 0.80 PDE5A (0.41) CRHR1PDE5A
SCHEMBL4115556 0.80 ALDH1A1 (0.41) CRHR1PDE5A
SCHEMBL4129126 0.79 PDE5A (0.40) CRHR1PDE5A
SCHEMBL4132060 0.79 PDE5A (0.43) CRHR1PDE5A
SCHEMBL4130996 0.78 PDE5A (0.41) CRHR1PDE5A
SCHEMBL4136240 0.78 CRHR1 (0.39) CRHR1PDE5A
SCHEMBL4132572 0.77 MTOR (0.46) CRHR1PDE5A

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