SCHEMBL16620498

SCHEMBL16620498

Nc1nc(CC(O)CO)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
HIF1A Q16665 1/20 0.42
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 1/20 0.40
DRD3 P35462 1/20 0.40
XDH P47989 1/20 0.40
LRRK2 Q5S007 1/20 0.40
KDR P35968 1/20 0.38
AURKB Q96GD4 1/20 0.38
CDK2 P24941 7/20 0.37
DPP4 P27487 1/20 0.37
CDK1 P06493 6/20 0.37
CCNB1 P14635 6/20 0.37
CCNA2 P20248 6/20 0.37
CCNA1 P78396 6/20 0.37
PNP P00491 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
SCHEMBL2909569 1.00 PDPK1 (0.50) PDPK1GDAHIF1API4KAPI4K2B
SCHEMBL7719826 0.86 PDPK1 (0.47) PDPK1GDAHIF1API4KAPI4K2B
SCHEMBL2402087 0.84 PDPK1 (0.51) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL9176120 0.81 PDPK1 (0.59) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29384383 0.79 PDPK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL25860 0.79 PDPK1 (0.53) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL6267288 0.78 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL29620672 0.78 PDPK1 (0.56) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1982409 0.78 PDPK1 (0.51) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL11222102 0.77 PDPK1 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3052628-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF THE ALAS1 GENE Alnylam Pharmaceuticals, Inc. (US) 2016-08-10 EP disclosed
WO-2015051318-A1 COMPOSITIONS AND METHODS FOR INHIBITING EXPRESSION OF THE ALAS1 GENE ALNYLAM PHARMACEUTICALS, INC. (US) 2015-04-09 WO disclosed