SCHEMBL5501347

SCHEMBL5501347

Nc1nc(=O)n([C@@H]2O[C@H](COP(=O)(O)O)C(O)C2O)cc1I

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 4/20 0.55
FBP1 P09467 2/20 0.55
DNPH1 O43598 2/20 0.55
PRKAB2 O43741 1/20 0.55
TRPM2 O94759 1/20 0.55
LDHA P00338 1/20 0.55
ADRB2 P07550 1/20 0.55
SRC P12931 1/20 0.55
ADORA1 P30542 1/20 0.55
P2RY1 P47900 1/20 0.55
PRKAG1 P54619 1/20 0.55
PRKAA2 P54646 1/20 0.55
PDE4D Q08499 1/20 0.55
KCNH2 Q12809 1/20 0.55
PRKAA1 Q13131 1/20 0.55
PDE3A Q14432 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
TAS1R3 Q7RTX0 1/20 0.55
TAS1R1 Q7RTX1 1/20 0.55
P2RY11 Q96G91 1/20 0.55

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
SCHEMBL3469888 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL17789098 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL16489876 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL17809091 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL14946156 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL903023 1.00 P2RY2 (0.55) P2RY2FBP1DNPH1PRKAB2TRPM2
SCHEMBL625445 0.90 P2RY2 (0.62) P2RY2P2RY1P2RY11P2RY6P2RY4
SCHEMBL3503039 0.90 P2RY2 (0.62) P2RY2P2RY1P2RY11P2RY6P2RY4
SCHEMBL21742739 0.90 P2RY6 (0.66) P2RY6P2RY14NT5E
SCHEMBL11511464 0.88 P2RY2 (0.56) P2RY2FBP1DNPH1PRKAB2TRPM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828750-B1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE EC TECHNOLOGY LLC (US) 2013-07-17 EP disclosed
EP-0828750-A4 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE EC TECHNOLOGY LLC (US) 2007-11-07 EP disclosed
US-5945527-A REACTING CYTOSINE CONTAINING A LEAVING GROUP ATTACHED TO 5- OR 6-POSTION OF MOLECULE, ISOLATING MODIFIED NUCLEOSIDE; FOR NOVEL FUNGICIDES, VIRICIDES, BACTERICIDES, ANTITUMOR AGENTS NEXSTAR PHARMACEUTICALS, INC. (US) 1999-08-31 US disclosed
EP-0828750-A1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE NeXstar Pharmaceuticals, Inc. (US) 1998-03-18 EP disclosed
WO-1996038460-A1 PALLADIUM CATALYZED NUCLEOSIDE MODIFICATION METHODS USING NUCLEOPHILES AND CARBON MONOXIDE NEXSTAR PHARMACEUTICALS, INC. (US) 1996-12-05 WO disclosed