SCHEMBL28565216

SCHEMBL28565216

CCOC(=O)c1sc(Nc2nc(N(C)Cc3cccnc3)cc(N3CCN(C)CC3)n2)nc1C

nearest known ligand 0.73

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.73
▸ TP53 P04637 1/20 0.46
▸ MAPT P10636 5/20 0.45
▸ ALDH1A1 P00352 5/20 0.45
▸ KDM4E B2RXH2 4/20 0.45
▸ LMNA P02545 3/20 0.43
▸ NPC1 O15118 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ DHODH Q02127 3/20 0.42
▸ NPSR1 Q6W5P4 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CSNK1D P48730 1/20 0.40

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
SCHEMBL29408541 1.00 PDE5A (0.73) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL2680815 0.92 PDE5A (0.73) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL29408505 0.92 PDE5A (0.78) PDE5AMAPTALDH1A1KDM4ELMNA
SCHEMBL28570343 0.92 PDE5A (0.78) PDE5AMAPTALDH1A1KDM4ELMNA
SCHEMBL29408511 0.91 PDE5A (0.69) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL6068350 0.91 PDE5A (0.69) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL291617 0.91 PDE5A (0.59) PDE5AALDH1A1KDM4ENPC1DHODH
SCHEMBL6068408 0.91 PDE5A (0.60) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL29408545 0.91 PDE5A (0.60) PDE5ATP53MAPTALDH1A1KDM4E
SCHEMBL6068405 0.90 PDE5A (0.60) PDE5ATP53MAPTALDH1A1KDM4E

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
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