SCHEMBL3432901

SCHEMBL3432901

CCONC(=O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKACA P17612 2/20 0.71
PLA2G2A P14555 1/20 0.67
MARS1 P56192 1/20 0.65
P2RY1 P47900 4/20 0.65
P2RY2 P41231 3/20 0.65
ADORA1 P30542 2/20 0.65
SRC P12931 2/20 0.65
SMN1; SMN2 Q16637 2/20 0.65
DNPH1 O43598 1/20 0.65
PRKAB2 O43741 1/20 0.65
TRPM2 O94759 1/20 0.65
LDHA P00338 1/20 0.65
ADRB2 P07550 1/20 0.65
FBP1 P09467 1/20 0.65
PRKAG1 P54619 1/20 0.65
PRKAA2 P54646 1/20 0.65
PDE4D Q08499 1/20 0.65
KCNH2 Q12809 1/20 0.65
PRKAA1 Q13131 1/20 0.65
PDE3A Q14432 1/20 0.65

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
SCHEMBL7226454 0.90 HINT1 (0.78) PRKACAPLA2G2AMARS1P2RY1P2RY2
SCHEMBL1000840 0.90 HINT1 (0.78) PRKACAPLA2G2AMARS1P2RY1P2RY2
SCHEMBL6704430 0.89 PRKACA (0.75) PRKACAPLA2G2AMARS1P2RY1P2RY2
SCHEMBL7925039 0.88 HSP90B1 (0.70) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL10586180 0.87 P2RY1 (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL30637132 0.87 P2RY1 (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL11519682 0.87 P2RY1 (0.68) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL219554 0.87 P2RY1 (0.71) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL31001632 0.87 P2RY1 (0.71) PRKACAMARS1P2RY1P2RY2ADORA1
SCHEMBL11584743 0.87 P2RY1 (0.71) PRKACAMARS1P2RY1P2RY2ADORA1

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
EP-3024926-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS The J. David Gladstone Institutes, A Testamentary Trust Established under The Will of J. David Gladstone (US) 2016-06-01 EP disclosed
WO-2015013653-A1 GENERATING DEFINITIVE ENDODERM AND PANCREATIC PROGENITOR CELLS THE J. DAVID GLADSTONE INSTITUTES, A TESTAMENTARY TRUST ESTABLISHED UNDER THE WILL OF J. DAVID GLADSTONE (US) 2015-01-29 WO disclosed
WO-2012068539-A1 USE AND COMPOSITION OF QUERCETIN-3'-O-SULFATE FOR THERAPEUTIC TREATMENT LIMERICK BIOPHARMA, INC. (US) 2012-05-24 WO disclosed
WO-2010065959-A1 METHOD OF PREPARING ADENOSINE-RESISTANT ANTI-TUMOR T LYMPHOCYTES FOR ADOPTIVE IMMUNOTHERAPY NORTHEASTERN UNIVERSITY (US) 2010-06-10 WO disclosed