SCHEMBL6763100

SCHEMBL6763100

Nc1ncnc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)[C@@H](N)[C@H]1O

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY1 P47900 4/20 0.85
P2RY2 P41231 3/20 0.85
SRC P12931 2/20 0.85
SMN1; SMN2 Q16637 2/20 0.85
DNPH1 O43598 1/20 0.85
PRKAB2 O43741 1/20 0.85
TRPM2 O94759 1/20 0.85
LDHA P00338 1/20 0.85
ADRB2 P07550 1/20 0.85
FBP1 P09467 1/20 0.85
ADORA1 P30542 1/20 0.85
PRKAG1 P54619 1/20 0.85
PRKAA2 P54646 1/20 0.85
PDE4D Q08499 1/20 0.85
KCNH2 Q12809 1/20 0.85
PRKAA1 Q13131 1/20 0.85
PDE3A Q14432 1/20 0.85
TAS1R3 Q7RTX0 1/20 0.85
TAS1R1 Q7RTX1 1/20 0.85
P2RY11 Q96G91 1/20 0.85

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
SCHEMBL6763117 1.00 P2RY1 (0.85) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL4309008 0.92 P2RX1 (0.84) P2RY1P2RY2SRCSMN1; SMN2DNPH1
SCHEMBL29941860 0.92 P2RX1 (0.84) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL20277555 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL13170051 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL132458 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL19420134 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL11977309 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL8572634 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1
Adenosine Phosphate SCHEMBL14478782 0.92 P2RY1 (1.00) P2RY1P2RY2SRCSMN1; SMN2DNPH1

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-20040038273-A1 Bifunctional tRNA for in vitro selection WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2004-02-26 US disclosed
US-20030022213-A1 Method for producing diverse libraries of encoded polypeptides WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2003-01-30 US disclosed
US-6440695-B1 GENETIC ENGINEERING WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2002-08-27 US disclosed
US-20020031762-A1 METHOD FOR PRODUCING DIVERSE LIBRARIES OF ENCODED POLYPEPTIDES WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH 2002-03-14 US disclosed