SCHEMBL9335172

SCHEMBL9335172

Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)C[C@@H]2OC(=O)c2ccc(C)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 1/20 0.53
GSK3A P49840 2/20 0.50
RPS6KA3 P51812 2/20 0.50
MAPK14 Q16539 2/20 0.50
POLB P06746 1/20 0.47
ENPP1 P22413 3/20 0.46
P2RY1 P47900 1/20 0.46
P2RX3 P56373 2/20 0.46
P2RX4 Q99571 2/20 0.46
P2RX2 Q9UBL9 2/20 0.46
P2RX6 O15547 1/20 0.44
P2RX1 P51575 1/20 0.44
P2RX5 Q93086 1/20 0.44
P2RY11 Q96G91 1/20 0.44
P2RX7 Q99572 1/20 0.44
HSP90B1 P14625 1/20 0.44

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
SCHEMBL9335175 1.00 ABCB1 (0.53) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL532524 0.91 P2RX3 (0.55) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL532525 0.91 P2RX3 (0.55) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL8790811 0.90 UPP1 (0.45) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL8671208 0.90 UPP1 (0.45) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL8671210 0.90 UPP1 (0.45) ABCB1GSK3ARPS6KA3MAPK14POLB
SCHEMBL7516274 0.87 PNP (0.52) P2RY1
SCHEMBL9538630 0.87 P2RY1 (0.43) ABCB1P2RY1
SCHEMBL17106838 0.85 METTL3 (0.49) ABCB1
SCHEMBL17106835 0.85 METTL3 (0.49) ABCB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0350292-B1 Process for preparing 2'-deoxy-beta-adenosine JAPAN TOBACCO INC (JP) 1994-05-04 EP disclosed
US-5262531-A Process for preparing 2'-deoxy-β-adenosine JAPAN TOBACCO, INC. (JP) 1993-11-16 US disclosed
EP-0350292-A2 Process for preparing 2'-deoxy-beta-adenosine Japan Tobacco Inc. (JP) 1990-01-10 EP disclosed