SCHEMBL8405083

SCHEMBL8405083

Nc1nc(Br)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)C(O)C1O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA5A P35218 1/20 0.79
P2RY1 P47900 10/20 0.73
P2RY11 Q96G91 5/20 0.73
DNPH1 O43598 1/20 0.73
PRKAB2 O43741 1/20 0.73
TRPM2 O94759 1/20 0.73
LDHA P00338 1/20 0.73
ADRB2 P07550 1/20 0.73
FBP1 P09467 1/20 0.73
SRC P12931 1/20 0.73
ADORA1 P30542 1/20 0.73
P2RY2 P41231 1/20 0.73
PRKAG1 P54619 1/20 0.73
PRKAA2 P54646 1/20 0.73
PDE4D Q08499 1/20 0.73
KCNH2 Q12809 1/20 0.73
PRKAA1 Q13131 1/20 0.73
PDE3A Q14432 1/20 0.73
SMN1; SMN2 Q16637 1/20 0.73
TAS1R3 Q7RTX0 1/20 0.73

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
SCHEMBL27404577 1.00 CA5A (0.79) CA5AP2RY1P2RY11DNPH1PRKAB2
SCHEMBL15794496 0.92 P2RY1 (0.77) CA5AP2RY1P2RY11SRCP2RY2
SCHEMBL26031925 0.91 NT5E (0.84) CA5AP2RY1NT5EP2RX3ENPP1
SCHEMBL3503072 0.90 NT5E (0.83) CA5AP2RY1P2RY11DNPH1PRKAB2
SCHEMBL1885550 0.90 NT5E (0.83) CA5AP2RY1P2RY11DNPH1PRKAB2
SCHEMBL849412 0.90 CA5A (0.85) CA5AP2RY1P2RY11DNPH1PRKAB2
Fludarabine Phosphate SCHEMBL23884975 0.88 CA5A (1.00) CA5AP2RY1P2RY11DNPH1PRKAB2
Fludarabine Phosphate SCHEMBL17541855 0.88 CA5A (1.00) CA5AP2RY1P2RY11DNPH1PRKAB2
Fludarabine Phosphate SCHEMBL21173132 0.88 CA5A (1.00) CA5AP2RY1P2RY11DNPH1PRKAB2
Fludarabine Phosphate SCHEMBL8401646 0.88 CA5A (1.00) CA5AP2RY1P2RY11DNPH1PRKAB2

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-0686043-B1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1999-06-23 EP disclosed
EP-0686043-A4 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1996-04-17 EP disclosed
US-5496546-A INHIBITORS OF RIBONUCLEASE OF TRANSCRIPTASE Wang, Jui H. (US) 1996-03-05 US disclosed
EP-0686043-A1 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG, Jui, H. (US) 1995-12-13 EP disclosed
WO-1994019012-A2 COMPOSITIONS AND METHODS OF APPLICATION OF REACTIVE ANTIVIRAL POLYMERS WANG JUI H (US) 1994-09-01 WO disclosed