SCHEMBL9702853

SCHEMBL9702853

COC(COCP)Cn1cnc2c(N)ncnc21

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 9/20 0.55
ADORA1 P30542 4/20 0.55
PI4KA P42356 3/20 0.51
PI4K2B Q8TCG2 3/20 0.51
PI4K2A Q9BTU6 3/20 0.51
PI4KB Q9UBF8 3/20 0.51
AHCY P23526 5/20 0.51
ALDH1A1 P00352 1/20 0.49
ADORA2B P29275 1/20 0.49
CYP3A4 P08684 1/20 0.48
NSD3 Q9BZ95 1/20 0.46
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44

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
SCHEMBL22855519 0.87 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL23547672 0.87 ADORA2A (0.60) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10875083 0.84 ADORA2A (0.49) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10515313 0.83 ADORA2A (0.51) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9702848 0.83 CYP3A4 (0.66) ADORA2AADORA1AHCYALDH1A1CYP3A4
SCHEMBL10515035 0.82 AHCY (0.67) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL21999215 0.82 AHCY (0.67) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL9703479 0.82 AHCY (0.67) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10514725 0.81 ADORA2A (0.54) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL886940 0.79 ADORA2A (0.63) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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
EP-0206459-B1 9-(PHOSPHONYLMETHOXYALKYL) ADENINES, METHOD FOR THEIR PREPARATION AND THEIR USE Ceskoslovenska akademie ved (CS) 1992-07-15 EP disclosed
US-4808716-A VIRICIDES OR CHEMICAL INTERMEDIATES CESKOSLOVENSKA AKADEMIC VED (CS) 1989-02-28 US disclosed
EP-0206459-A2 9-(Phosphonylmethoxyalkyl) adenines, method for their preparation and their use Ceskoslovenska akademie ved (CS) 1986-12-30 EP disclosed