SCHEMBL290767

SCHEMBL290767

Cc1nc(Nc2nc(N3CCOCC3)cc(N3CCC(C(C)CO)CC3)n2)sc1C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.56
PIK3CB P42338 2/20 0.43
PIK3CD O00329 1/20 0.43
PIK3CA P42336 1/20 0.43
ALDH1A1 P00352 4/20 0.37
HPGD P15428 2/20 0.37
KDM4E B2RXH2 3/20 0.37
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CSNK1D P48730 1/20 0.37
CYP1A2 P05177 1/20 0.37
GLA P06280 1/20 0.37
HSD17B10 Q99714 1/20 0.37
DGAT1 O75907 1/20 0.36
RAF1 P04049 2/20 0.36
BRAF P15056 2/20 0.36
CCNT1 O60563 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 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
SCHEMBL4540811 0.89 PDE5A (0.57) PDE5APIK3CBPIK3CDPIK3CAALDH1A1
SCHEMBL290768 0.86 PDE5A (0.54) PDE5APIK3CBPIK3CDPIK3CAALDH1A1
SCHEMBL2680916 0.83 PDE5A (0.54) PDE5APIK3CBPIK3CDPIK3CAALDH1A1
SCHEMBL6068573 0.82 PDE5A (0.84) PDE5AALDH1A1HPGDKDM4EMAPT
SCHEMBL2681006 0.80 PDE5A (0.57) PDE5AALDH1A1HPGDKDM4EMAPT
SCHEMBL20559620 0.80 PDE5A (0.76) PDE5APIK3CBPIK3CDPIK3CAALDH1A1
SCHEMBL298995 0.80 PDE5A (0.49) PDE5APIK3CBPIK3CDPIK3CAALDH1A1
SCHEMBL27937567 0.79 PDE5A (0.55) PDE5AALDH1A1HPGDKDM4EMAPT
SCHEMBL291120 0.78 PDE5A (0.76) PDE5AALDH1A1HPGDKDM4EMAPT
SCHEMBL27950957 0.77 PDE5A (0.58) PDE5AALDH1A1HPGDKDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 WO disclosed
EP-2427193-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS Omeros Corporation (US) 2012-03-14 EP disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed