SCHEMBL7661642

SCHEMBL7661642

CN(C)/C=N/c1nc(Br)nc2c1ncn2[C@H]1C[C@H](O)[C@@H](CO)O1

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HIF1A Q16665 1/20 0.52
▸ PNP P00491 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ TP53 P04637 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ PDE4D Q08499 1/20 0.52
▸ PDE3A Q14432 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.52
▸ PIM1 P11309 1/20 0.51
▸ CSNK2A2 P19784 1/20 0.51
▸ CSNK2B P67870 1/20 0.51
▸ CSNK2A1 P68400 1/20 0.51
▸ CSNK2A3 Q8NEV1 1/20 0.51

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
SCHEMBL7661650 1.00 HIF1A (0.52) HIF1APNPLMNATP53HTT
SCHEMBL27218348 0.89 PNP (0.64) HIF1APNPLMNATP53HTT
SCHEMBL887520 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL10022903 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL11688219 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL29738724 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL11688227 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL20129803 0.85 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL3764696 0.85 HIF1A (0.52) HIF1APNPLMNATP53HTT
SCHEMBL5982393 0.83 PNP (0.62) HIF1APNPLMNATP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6498241-B1 2-deoxy-isoguanosines isosteric analogues and isoguanosine derivatives as well as their synthesis ROCHE DIAGNOSTICS GMBH (DE) 2002-12-24 — — US disclosed
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