SCHEMBL10599345

SCHEMBL10599345

COc1cc(C(=O)OC[C@H]2O[C@@H](n3cnc4c(N)ncnc43)[C@H](O)[C@@H]2O)cc(OC)c1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 2/20 0.68
RPS6KA3 P51812 2/20 0.68
MAPK14 Q16539 2/20 0.68
ABCB1 P08183 1/20 0.66
ABL1 P00519 1/20 0.60
EGFR P00533 1/20 0.60
ABL2 P42684 1/20 0.60
MARS1 P56192 1/20 0.60
P2RY1 P47900 4/20 0.59
P2RY2 P41231 3/20 0.59
ADORA1 P30542 2/20 0.59
SRC P12931 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
DNPH1 O43598 1/20 0.59
PRKAB2 O43741 1/20 0.59
TRPM2 O94759 1/20 0.59
LDHA P00338 1/20 0.59
ADRB2 P07550 1/20 0.59
FBP1 P09467 1/20 0.59
PRKAG1 P54619 1/20 0.59

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
SCHEMBL337873 0.86 ABCB1 (0.75) GSK3ARPS6KA3MAPK14ABCB1ABL1
SCHEMBL13268719 0.84 ADORA1 (0.58) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL441535 0.84 ABCB1 (0.77) GSK3ARPS6KA3MAPK14ABCB1P2RY1
SCHEMBL11644877 0.84 ABCB1 (0.77) GSK3ARPS6KA3MAPK14ABCB1P2RY1
SCHEMBL13269505 0.83 AHCY (0.57) P2RY1P2RY2ADORA1SRCSMN1; SMN2
SCHEMBL31001632 0.82 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ABCB1MARS1
SCHEMBL219554 0.82 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ABCB1MARS1
SCHEMBL5550634 0.82 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ABCB1MARS1
SCHEMBL11584743 0.82 P2RY1 (0.71) GSK3ARPS6KA3MAPK14ABCB1MARS1
SCHEMBL6425805 0.82 ABCB1 (0.74) GSK3ARPS6KA3MAPK14ABCB1EGFR

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
EP-0175325-B1 NEW 8-SUBSTITUTED NUCLEOSIDE AND PURINE DERIVATIVES, THE PROCESS FOR THE PREPARATION THEREOF AND THE PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Pierrel S.p.A. (IT) 1989-03-15 EP disclosed
EP-0175325-A2 New 8-substituted nucleoside and purine derivatives, the process for the preparation thereof and the pharmaceutical compositions containing them Pierrel S.p.A. (IT) 1986-03-26 EP disclosed