SCHEMBL29906262

SCHEMBL29906262

Nc1nc(-c2ncc3[nH]cnc3n2)nc2nc[nH]c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.54
PDPK1 O15530 1/20 0.54
GDA Q9Y2T3 1/20 0.54
KDM4E B2RXH2 1/20 0.46
RXFP1 Q9HBX9 1/20 0.44
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 1/20 0.38
MAP3K5 Q99683 1/20 0.37
ADORA2A P29274 2/20 0.36
ADORA1 P30542 2/20 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
SCHEMBL29452971 0.82 ALDH1A1 (0.63) ALDH1A1PDPK1GDAKDM4ERXFP1
2,6-Diaminopurine SCHEMBL28480712 0.81 ALDH1A1 (0.74) ALDH1A1PDPK1GDAKDM4ERXFP1
SCHEMBL4875493 0.74 ALDH1A1 (0.53) ALDH1A1KDM4ERXFP1CDK2POLA1
SCHEMBL29791254 0.72 ADORA3 (0.69) PDPK1GDAPI4KAPI4K2BPI4K2A
SCHEMBL1741361 0.72 ADORA3 (0.69) PDPK1GDAPI4KAPI4K2BPI4K2A
2-Aminopurine SCHEMBL3506551 0.72 ALDH1A1 (0.70) ALDH1A1PDPK1GDAKDM4ERXFP1
SCHEMBL31350217 0.72 PDPK1 (0.66) ALDH1A1PDPK1GDAPI4KAPI4K2B
SCHEMBL842438 0.72 PDPK1 (0.66) ALDH1A1PDPK1GDAPI4KAPI4K2B
2,6-Diaminopurine SCHEMBL24053 0.71 PDPK1 (1.00) PDPK1GDAPI4KAPI4K2BPI4K2A
2-Aminopurine SCHEMBL5634 0.71 ALDH1A1 (1.00) ALDH1A1PDPK1GDAKDM4ERXFP1

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-2382201-B1 PLASMALOGEN COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME AND METHODS FOR TREATING DISEASES OF THE AGING MED LIFE DISCOVERIES LP (CA) 2022-08-24 EP disclosed