SCHEMBL7202481

SCHEMBL7202481

CC1(C)O[C@@H]2C(CO)OC(n3cnc4c(N)nc(Cl)nc43)[C@@H]2O1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.72
PI4K2B Q8TCG2 1/20 0.72
PI4K2A Q9BTU6 1/20 0.72
PI4KB Q9UBF8 1/20 0.72
ADORA3 P0DMS8 5/20 0.63
ADORA2A P29274 2/20 0.63
PDE4D Q08499 2/20 0.63
PDE3A Q14432 2/20 0.63
PDE2A O00408 2/20 0.63
ADORA1 P30542 1/20 0.63
ADRA1A P35348 1/20 0.63
LMNA P02545 3/20 0.56
TP53 P04637 2/20 0.56
RXFP1 Q9HBX9 2/20 0.56
PNP P00491 1/20 0.56
HTT P42858 1/20 0.56
SMN1; SMN2 Q16637 1/20 0.56
ALDH1A1 P00352 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
CA1 P00915 1/20 0.52

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
SCHEMBL18159460 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL14088982 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL572470 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL19387129 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL14075797 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL19387123 1.00 PI4KA (0.72) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL18512532 0.91 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL4148537 0.90 PI4KA (0.58) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL23914964 0.89 LMNA (0.65) PI4KAPI4K2BPI4K2API4KBADORA3
SCHEMBL17205571 0.89 LMNA (0.65) PI4KAPI4K2BPI4K2API4KBADORA3

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-6610665-B1 Treatment of inflammatory diseases, asthma or chronic obstructive pulmonary disease SMITHKLINE BEECHAM CORPORATION 2003-08-26 US disclosed
EP-1056759-B1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LTD (GB) 2002-09-04 EP disclosed
EP-1056759-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 2000-12-06 EP disclosed
WO-1999041267-A1 2-(PURIN-9-YL) -TETRAHYDROFURAN-3, 4-DIOL DERIVATIVES GLAXO GROUP LIMITED (GB) 1999-08-19 WO disclosed