SCHEMBL19827632

SCHEMBL19827632

CCOc1nc(N)nc2c1ncn2[C@@H]1O[C@H](COP(=O)(O)O)CC1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA5A P35218 1/20 0.44
▸ NT5E P21589 2/20 0.44
▸ P2RY1 P47900 2/20 0.42
▸ DNPH1 O43598 1/20 0.42
▸ PRKAB2 O43741 1/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ LDHA P00338 1/20 0.42
▸ ADRB2 P07550 1/20 0.42
▸ FBP1 P09467 1/20 0.42
▸ SRC P12931 1/20 0.42
▸ ADORA1 P30542 1/20 0.42
▸ P2RY2 P41231 1/20 0.42
▸ PRKAG1 P54619 1/20 0.42
▸ PRKAA2 P54646 1/20 0.42
▸ PDE4D Q08499 1/20 0.42
▸ KCNH2 Q12809 1/20 0.42
▸ PRKAA1 Q13131 1/20 0.42
▸ PDE3A Q14432 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TAS1R3 Q7RTX0 1/20 0.42

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
SCHEMBL16024938 0.92 P2RY1 (0.48) P2RY1P2RY11P2RX3RNASEL
SCHEMBL19187036 0.90 NT5E (0.41) NT5EP2RY1SRCP2RY2P2RY11
SCHEMBL18726343 0.89 NT5E (0.39) CA5ANT5EADORA1
SCHEMBL23010941 0.88 NT5E (0.39) NT5EP2RY1ADORA1P2RY11
SCHEMBL19186857 0.88 FUT5 (0.40) NT5EP2RY1P2RY11P2RX3RNASEL
SCHEMBL20056910 0.88 NT5E (0.38) NT5EP2RY1ADORA1P2RY11
SCHEMBL19827691 0.87 HINT1 (0.41) NT5EADORA1
SCHEMBL23584291 0.86 ADORA2A (0.45) ADORA1
SCHEMBL10266182 0.86 ADORA2A (0.45) ADORA1
SCHEMBL13469562 0.86 ADORA2A (0.45) ADORA1

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
EP-2852605-B1 3',5'-CYCLIC PHOSPHATE PRODRUGS FOR HCV INFECTION IDENIX PHARMACEUTICALS LLC (US) 2018-01-31 — — EP disclosed
Send feedback