SCHEMBL28567784

SCHEMBL28567784

CCOC(=O)c1sc(Nc2nc(NCc3ccc(C(=O)O)cc3)cc(N3CCN(C)CC3)n2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.67
AURKA O14965 3/20 0.52
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 1/20 0.47
LMNA P02545 1/20 0.45
PDE2A O00408 2/20 0.44
PDE3B Q13370 2/20 0.44
PDE3A Q14432 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
HRH4 Q9H3N8 3/20 0.44
DHODH Q02127 1/20 0.43

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
Hydrochloric Acid SCHEMBL29408530 0.99 PDE5A (0.66) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL291205 0.92 PDE5A (0.56) PDE5AAURKAHRH4
SCHEMBL29408486 0.92 PDE5A (0.80) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL28567163 0.92 PDE5A (0.80) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL28570855 0.91 PDE5A (0.72) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL29408531 0.91 PDE5A (0.72) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL6068361 0.90 PDE5A (0.68) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL6068273 0.89 PDE5A (0.66) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL5522573 0.89 PDE5A (0.74) PDE5AAURKAALDH1A1MAPTKDM4E
SCHEMBL6068325 0.89 PDE5A (0.62) PDE5AAURKAALDH1A1MAPTKDM4E

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
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed
CN-112168972-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2021-01-05 CN disclosed