SCHEMBL31315931

SCHEMBL31315931

CCC1CN(C)c2c(nc(N)[nH]c2=O)N1CC1CCCCC1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 2/20 0.37
▸ GLA P06280 1/20 0.34
▸ TDP1 Q9NUW8 1/20 0.34
▸ TXN P10599 1/20 0.33
▸ PDE5A O76074 1/20 0.32
▸ PDE4A P27815 1/20 0.32
▸ PDE4B Q07343 1/20 0.32
▸ PDE4C Q08493 1/20 0.32
▸ PDE4D Q08499 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ PDE9A O76083 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ MMP1 P03956 1/20 0.31
▸ MMP3 P08254 1/20 0.31
▸ MMP9 P14780 1/20 0.31
▸ HPRT1 P00492 1/20 0.31

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
SCHEMBL31315956 0.83 PNP (0.33) PNPTXNPOLBLMNAADORA2A
SCHEMBL31315968 0.81 NOS3 (0.32) PNPPDE9ALMNA
SCHEMBL31315933 0.73 PNP (0.46) PNPLMNAADORA2AADORA2B
SCHEMBL31315930 0.72 PNP (0.45) PNPLMNA
SCHEMBL1586365 0.66 PNP (0.37) PNPHPRT1
SCHEMBL31315883 0.65 NOS1 (0.43) PNPGLATDP1ADORA2AADORA2B
SCHEMBL3462675 0.60 HPRT1 (0.64) PNPLMNAHPRT1
Hydrochloric Acid SCHEMBL17186625 0.60 HPRT1 (0.63) PNPLMNAHPRT1
SCHEMBL2787048 0.59 HPRT1 (0.50) PNPGLATDP1HPRT1
SCHEMBL6270960 0.59 HPRT1 (0.66) PNPLMNAHPRT1

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-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 — — CN claimed
CN-119241548-A Dihydropteridinone derivatives containing fused benzene rings and use thereof 沈阳药科大学 2025-01-03 — — CN disclosed
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