SCHEMBL28422631

SCHEMBL28422631

CCOC(=O)C(CC)CCCn1c(=O)c2c(ncn2C)n(C)c1=O

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TNF P01375 5/20 0.69
▸ ADORA2B P29275 6/20 0.58
▸ PDE4A P27815 2/20 0.58
▸ PDE4B Q07343 2/20 0.58
▸ PDE4C Q08493 2/20 0.58
▸ PDE4D Q08499 2/20 0.58
▸ USP2 O75604 1/20 0.58
▸ LMNA P02545 1/20 0.58
▸ CYP1A2 P05177 1/20 0.58
▸ TSHR P16473 1/20 0.58
▸ NFKB1 P19838 1/20 0.58
▸ ACHE P22303 1/20 0.58
▸ PMP22 Q01453 1/20 0.58
▸ SMN1; SMN2 Q16637 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ CHIT1 Q13231 1/20 0.51
▸ CHIA Q9BZP6 1/20 0.51
▸ ADORA2A P29274 1/20 0.49
▸ GLA P06280 1/20 0.48
▸ BLM P54132 1/20 0.48

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
SCHEMBL19210131 0.90 TNF (0.56) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL19210136 0.88 TNF (0.53) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL5424162 0.82 TNF (1.00) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL6778554 0.82 ADORA2B (0.62) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL17682312 0.81 TNF (1.00) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL11302344 0.79 ADORA2B (0.70) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL10018601 0.79 TNF (0.71) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL6780041 0.79 ADORA2B (0.65) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL27347024 0.78 ADORA2B (0.65) TNFADORA2BPDE4APDE4BPDE4C
SCHEMBL6778295 0.78 ADORA2B (0.65) TNFADORA2BPDE4APDE4BPDE4C

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-111233863-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2022-10-25 — — CN disclosed
CN-105566324-B Hydroxyl purine compound and application thereof 广东众生睿创生物科技有限公司 2020-04-03 — — CN disclosed
Send feedback