SCHEMBL10394262

SCHEMBL10394262

Nc1nc2c(c(=O)[nH]1)NCN2[C@H]1CC[C@@H](CO)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 7/20 0.42
▸ NOS1 P29475 5/20 0.34
▸ TLR7 Q9NYK1 1/20 0.33
▸ PNP P00491 2/20 0.32
▸ NOS3 P29474 1/20 0.32
▸ NOS2 P35228 1/20 0.32
▸ USP2 O75604 1/20 0.31
▸ CASP7 P55210 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ PAH P00439 1/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ PDE4A P27815 1/20 0.31
▸ PDE4B Q07343 1/20 0.31
▸ PDE4C Q08493 1/20 0.31
▸ PDE4D Q08499 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
SCHEMBL9308669 0.87 HPRT1 (0.41) HPRT1NOS1TLR7PNPNOS3
SCHEMBL9309722 0.87 HPRT1 (0.41) HPRT1NOS1TLR7PNPNOS3
SCHEMBL9021973 0.84 HPRT1 (0.43) HPRT1NOS1PNPNOS3NOS2
SCHEMBL3436892 0.81 HPRT1 (0.43) HPRT1NOS1TLR7PNPNOS3
SCHEMBL10395198 0.81 HPRT1 (0.43) HPRT1NOS1TLR7PNPNOS3
SCHEMBL8080082 0.81 HPRT1 (0.45) HPRT1NOS1TLR7PNPNOS3
SCHEMBL9021971 0.80 HPRT1 (0.40) HPRT1NOS1NOS3NOS2USP2
SCHEMBL9310753 0.79 HPRT1 (0.46) HPRT1NOS1NOS3NOS2USP2
SCHEMBL8353453 0.78 HPRT1 (0.45) HPRT1NOS1NOS3NOS2USP2
SCHEMBL5430798 0.76 HPRT1 (0.42) HPRT1NOS1TLR7PNPNOS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4968674-A Antiviral carbocyclic purine nucleosides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-06 — — US claimed
EP-0236935-A2 Carboxylic purine nucleosides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 — — EP claimed
US-4968674-A Antiviral carbocyclic purine nucleosides TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-11-06 — — US disclosed
EP-0236935-A2 Carboxylic purine nucleosides, their production and use Takeda Chemical Industries, Ltd. (JP) 1987-09-16 — — EP disclosed
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