SCHEMBL8570660

SCHEMBL8570660

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MARS1 P56192 6/20 0.65
P2RY12 Q9H244 2/20 0.63
EZH2 Q15910 1/20 0.61
DNPH1 O43598 4/20 0.60
TAS1R3 Q7RTX0 2/20 0.60
TAS1R1 Q7RTX1 2/20 0.60
P2RY2 P41231 2/20 0.60
P2RY1 P47900 2/20 0.60
PRKAB2 O43741 1/20 0.60
TRPM2 O94759 1/20 0.60
LDHA P00338 1/20 0.60
ADRB2 P07550 1/20 0.60
FBP1 P09467 1/20 0.60
SRC P12931 1/20 0.60
ADORA1 P30542 1/20 0.60
PRKAG1 P54619 1/20 0.60
PRKAA2 P54646 1/20 0.60
PDE4D Q08499 1/20 0.60
KCNH2 Q12809 1/20 0.60
PRKAA1 Q13131 1/20 0.60

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
SCHEMBL3898255 0.89 P2RY12 (0.65) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL5545796 0.89 P2RY12 (0.69) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL8328071 0.88 P2RY12 (0.64) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL2990779 0.88 P2RY12 (0.66) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL3193571 0.88 P2RY12 (0.68) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL8916648 0.88 P2RY12 (0.70) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL1933421 0.87 P2RY12 (0.67) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL4997219 0.87 P2RY12 (0.69) P2RY12EZH2DNPH1TAS1R3TAS1R1
SCHEMBL2988353 0.86 P2RY12 (0.68) P2RY12DNPH1TAS1R3TAS1R1P2RY2
SCHEMBL2990348 0.86 P2RY12 (0.68) P2RY12DNPH1TAS1R3TAS1R1P2RY2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5798240-A ISOLATED NUCLEIC ACID ENCODING AMINOACYL-TRANSFER RNA SYNTHETASE CUBIST PHARMACEUTICALS, INC. (US) 1998-08-25 US disclosed