SCHEMBL3328527

SCHEMBL3328527

Nc1nc(Br)nc2nc[nH]c12.Nc1nc(F)nc2nc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.54
GDA Q9Y2T3 1/20 0.54
PI4KA P42356 2/20 0.43
PI4K2B Q8TCG2 2/20 0.43
PI4K2A Q9BTU6 2/20 0.43
PI4KB Q9UBF8 2/20 0.43
LMNA P02545 1/20 0.43
DRD3 P35462 1/20 0.43
XDH P47989 1/20 0.43
LRRK2 Q5S007 1/20 0.43
CDK2 P24941 2/20 0.40
DPP4 P27487 1/20 0.40
PNP P00491 1/20 0.39
POLA1 P09884 2/20 0.38
MAP3K5 Q99683 1/20 0.37
MGMT P16455 1/20 0.36
CDK1 P06493 1/20 0.36
CCNB1 P14635 1/20 0.36
CCNA2 P20248 1/20 0.36
CCNA1 P78396 1/20 0.36

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
SCHEMBL29375265 0.90 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL497199 0.90 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29873925 0.90 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL8851 0.90 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
Isoguanine SCHEMBL887741 0.72 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
Isoguanine SCHEMBL29569323 0.72 PDPK1 (0.66) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL2526552 0.71 PDPK1 (0.44) PDPK1GDAPI4KAPI4K2BPI4K2A
2,6-Diaminopurine SCHEMBL24053 0.71 PDPK1 (1.00) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL533603 0.71 PDPK1 (0.44) PDPK1GDAPI4KAPI4K2BPI4K2A
Ribose (Furanose) SCHEMBL4284369 0.71 HIF1A (0.46) 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
US-20100137576-A1 5' O [(N ACYL)AMIDOPHOSPHATE] AND 5' O [(N ACYL)AMIDOTHIOPHOSPHATE] AND 5' O [(N ACYL)AMIDODITHIOPHOSPHATE] AND 5' O [(N ACYL)AMIDOSELENOPHOSPHATE] DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MILEKULARNYCHI MAKROMOLEKULARNYCH, P (PL) 2010-06-03 US claimed
EP-2097430-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[N- ACYL)AMIDOSELENOPHOSPHATE-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF Centrum Badan Molekularnych I Makromolekularnych Pan (PL) 2009-09-09 EP claimed
WO-2008048128-A1 5'-O-[(N-ACYL)AMIDOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDOTHIOPHOSPHATE]- AND 5'-O-[(N-ACYL)AMIDODITHIOPHOSPHATE]- AND 5'-O-[(N- ACYL)AMIDOSELENOPHOSPHATE]-DERIVATIVES OF NUCLEOSIDES AND PROCESSES FOR THE MANUFACTURE THEREOF CENTRUM BADAN MOLEKULARNYCH I MAKROMOLEKULARNYCH, POLSKIEJ AKADEMII NAUK (PL) 2008-04-24 WO claimed