SCHEMBL14156824

SCHEMBL14156824

CN(C)C=Nc1nc2nccn2c2c1ncn2C1CC(O)C(CO)O1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ PIM1 P11309 1/20 0.44
▸ CSNK2A2 P19784 1/20 0.44
▸ CSNK2B P67870 1/20 0.44
▸ CSNK2A1 P68400 1/20 0.44
▸ CSNK2A3 Q8NEV1 1/20 0.44
▸ HIF1A Q16665 1/20 0.43
▸ PNP P00491 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ TP53 P04637 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ PDE4D Q08499 1/20 0.43
▸ PDE3A Q14432 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ ADRB1 P08588 1/20 0.42
▸ DNMT1 P26358 1/20 0.42

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
SCHEMBL14156825 0.93 PIM1 (0.36) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14156818 0.80 PNP (0.60) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL14156813 0.79 PIM1 (0.48) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL7661650 0.79 HIF1A (0.52) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL27218348 0.79 PNP (0.64) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL7661642 0.79 HIF1A (0.52) PIM1CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL887520 0.78 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL20129803 0.78 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL10022903 0.78 HIF1A (0.63) HIF1APNPLMNATP53HTT
SCHEMBL11688219 0.78 HIF1A (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
US-7385051-B2 Fluorescent N2,N3-etheno-purine (2′-deoxy) riboside derivatives and uses thereof BAR-LLAN UNIVERSITY (IL) 2008-06-10 — — US disclosed
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