SCHEMBL8916648

SCHEMBL8916648

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

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 2/20 0.70
DNPH1 O43598 8/20 0.67
P2RY1 P47900 5/20 0.67
P2RY2 P41231 4/20 0.67
TAS1R3 Q7RTX0 2/20 0.67
TAS1R1 Q7RTX1 2/20 0.67
SRC P12931 2/20 0.67
SMN1; SMN2 Q16637 2/20 0.67
PRKAB2 O43741 1/20 0.67
TRPM2 O94759 1/20 0.67
LDHA P00338 1/20 0.67
ADRB2 P07550 1/20 0.67
FBP1 P09467 1/20 0.67
ADORA1 P30542 1/20 0.67
PRKAG1 P54619 1/20 0.67
PRKAA2 P54646 1/20 0.67
PDE4D Q08499 1/20 0.67
KCNH2 Q12809 1/20 0.67
PRKAA1 Q13131 1/20 0.67
PDE3A Q14432 1/20 0.67

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
SCHEMBL2990348 0.93 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL2988353 0.93 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL18274661 0.92 P2RY12 (0.71) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL2990779 0.92 P2RY12 (0.66) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL8352507 0.91 P2RY12 (0.65) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL5545796 0.91 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL3193571 0.90 P2RY12 (0.68) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL4997219 0.89 P2RY12 (0.69) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL1933421 0.89 P2RY12 (0.67) P2RY12DNPH1P2RY1P2RY2TAS1R3
SCHEMBL6900642 0.88 P2RY12 (0.75) P2RY12DNPH1P2RY1P2RY2TAS1R3

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-5629188-A METHODS FOR MAKING HUMAN ALANYL-TRNA SYNTHETASE, E.G., MAINTAINING HOST CELLS COMPRISING RECOMBINANT GENE ENCODING SYNTHETASE UNDER CONDITIONS IN WHICH GENE IS EXPRESSED, ISOLATING SYNTHETASE; RELATED VECTORS, PLASMID CUBIST PHARMACEUTICALS, INC. (US) 1997-05-13 US disclosed