SCHEMBL8146897

SCHEMBL8146897

Nc1nc(Cl)nc2c1nc(Br)n2[C@H]1CC(O)[C@@H](CO)O1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4D Q08499 2/20 0.63
▸ PDE3A Q14432 2/20 0.63
▸ PNP P00491 1/20 0.63
▸ LMNA P02545 1/20 0.63
▸ TP53 P04637 1/20 0.63
▸ HTT P42858 1/20 0.63
▸ SMN1; SMN2 Q16637 1/20 0.63
▸ RXFP1 Q9HBX9 1/20 0.63
▸ ADORA2A P29274 3/20 0.45
▸ ADORA3 P0DMS8 3/20 0.45
▸ NT5E P21589 1/20 0.43
▸ ADORA1 P30542 2/20 0.41
▸ PDE2A O00408 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ CSNK2A2 P19784 1/20 0.41
▸ CSNK2B P67870 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ CSNK2A3 Q8NEV1 1/20 0.41
▸ ADRB1 P08588 1/20 0.41

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
SCHEMBL8146893 1.00 PDE4D (0.63) PDE4DPDE3APNPLMNATP53
SCHEMBL29283551 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL29673055 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL20419331 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL14253676 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL24420987 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL30366664 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL440599 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL659995 0.82 ADORA2A (0.64) PDE4DPDE3APNPLMNATP53
SCHEMBL14075812 0.79 NADK (0.54) PDE4DPDE3APNPLMNATP53

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-6147199-A 2-deoxy-isoguanosines isoteric analogues and isoguanosine containing oligonucleotides BOEHRINGER MANNHEIM (DE) 2000-11-14 — — US disclosed
EP-0624161-B1 2'-DESOXY-ISOGUANOSINES, ISOSTER ANALOGUES AND ISOGUANOSINE DERIVATES AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1999-02-24 — — EP disclosed
EP-0624161-A1 2'-DESOXY-ISOGUANOSINES, ISOSTER ANALOGUES AND ISOGUANOSINE DERIVATES AND THEIR USE Roche Diagnostics GmbH (DE) 1994-11-17 — — EP disclosed
WO-1993012130-A1 2'-DESOXY-ISOGUANOSINES, ISOSTER ANALOGUES AND ISOGUANOSINE DERIVATES AND THEIR USE BOEHRINGER MANNHEIM GMBH (DE) 1993-06-24 — — WO disclosed
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