SCHEMBL9548808

SCHEMBL9548808

N#C[C@@]1(CO)CC[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.51
PI4K2A Q9BTU6 6/20 0.51
PI4KA P42356 5/20 0.50
PI4K2B Q8TCG2 5/20 0.50
PI4KB Q9UBF8 5/20 0.50
TP53 P04637 1/20 0.50
CYP2C9 P11712 1/20 0.50
NFKB1 P19838 1/20 0.50
MAPK1 P28482 1/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.50
ALDH1A1 P00352 1/20 0.50
APEX1 P27695 1/20 0.50
BLM P54132 1/20 0.50
KMT2A Q03164 1/20 0.50
ADCY1 Q08828 1/20 0.50
PRMT5 O14744 1/20 0.49
WDR77 Q9BQA1 1/20 0.49
ADORA2A P29274 7/20 0.48
ADORA3 P0DMS8 5/20 0.47

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
SCHEMBL9548624 0.86 AHCY (0.45) PI4K2ATP53ADORA2AADORA3AHCY
SCHEMBL9548875 0.84 ADORA2A (0.44) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL2520562 0.84 AHCY (0.47) TP53ADORA2AADORA3ADORA1ADORA2B
SCHEMBL9548595 0.83 ADA (0.56) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL24695057 0.81 ADA (0.54) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9548783 0.81 ALDH1A1 (0.56) MAPK1ALDH1A1ADORA3
SCHEMBL9548708 0.79 ADORA3 (0.51) HSD17B10BLMADORA3
SCHEMBL12060727 0.78 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9153368 0.78 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB
SCHEMBL9153371 0.78 ADA (0.51) ADAPI4K2API4KAPI4K2BPI4KB

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
WO-2022256625-A1 LINE-1 INHIBITORS AS COGNITIVE ENHANCERS TRANSPOSON THERAPEUTICS, INC. (US) 2022-12-08 WO disclosed
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed