SCHEMBL14397284

SCHEMBL14397284

CC[C@H]1O[C@@H](n2cnc3c(N)nc(OC4CCCC4)nc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 10/20 0.61
ADORA2B P29275 8/20 0.61
PI4KA P42356 1/20 0.52
PI4K2B Q8TCG2 1/20 0.52
PI4K2A Q9BTU6 1/20 0.52
PI4KB Q9UBF8 1/20 0.52
RXFP1 Q9HBX9 1/20 0.48
ADORA3 P0DMS8 2/20 0.46
ADORA1 P30542 1/20 0.46
AMD1 P17707 2/20 0.46

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
SCHEMBL3876664 0.92 ADORA2A (0.71) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4236084 0.92 ADORA2A (0.71) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4145413 0.92 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL3889149 0.92 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL13855572 0.92 ADORA2A (0.61) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4153617 0.90 ADORA2A (0.59) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4148702 0.88 ADORA2A (0.57) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4156312 0.87 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4157828 0.87 ADORA2A (0.60) ADORA2AADORA2BPI4KAPI4K2BPI4K2A
SCHEMBL4164271 0.87 ADORA2A (0.56) ADORA2AADORA2BPI4KAPI4K2BPI4K2A

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
WO-2007113538-A1 SUBSTITUTED ADENINES AND THE USES THEREOF ASTRAZENECA AB (SE) 2007-10-11 WO disclosed