SCHEMBL9702644

SCHEMBL9702644

Nc1nc(C(O)C=C(O)O)nc2nc[nH]c12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
GDA Q9Y2T3 1/20 0.50
PI4KA P42356 2/20 0.40
PI4K2B Q8TCG2 2/20 0.40
PI4K2A Q9BTU6 2/20 0.40
PI4KB Q9UBF8 2/20 0.40
LMNA P02545 2/20 0.40
DRD3 P35462 1/20 0.40
XDH P47989 1/20 0.40
LRRK2 Q5S007 1/20 0.40
CDK2 P24941 5/20 0.37
DPP4 P27487 1/20 0.37
PNP P00491 1/20 0.36
POLA1 P09884 1/20 0.36
KDR P35968 1/20 0.36
AURKB Q96GD4 1/20 0.36
CDK1 P06493 4/20 0.35
CCNB1 P14635 4/20 0.35
CCNA2 P20248 4/20 0.35
CCNA1 P78396 4/20 0.35

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
SCHEMBL542009 0.74 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28731074 0.74 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL48131 0.73 PDPK1 (0.50) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL669640 0.73 PDPK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL5509118 0.72 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29721618 0.72 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL28004538 0.71 PDPK1 (0.54) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL9081426 0.70 PDPK1 (0.46) PDPK1GDACDK2DPP4POLA1
SCHEMBL7165321 0.70 PDPK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL13269009 0.70 PDPK1 (0.49) PDPK1GDAPI4KAPI4K2BPI4K2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0206459-B1 9-(PHOSPHONYLMETHOXYALKYL) ADENINES, METHOD FOR THEIR PREPARATION AND THEIR USE Ceskoslovenska akademie ved (CS) 1992-07-15 EP disclosed
US-4808716-A VIRICIDES OR CHEMICAL INTERMEDIATES CESKOSLOVENSKA AKADEMIC VED (CS) 1989-02-28 US disclosed
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 EP disclosed