SCHEMBL11289245

SCHEMBL11289245

C[C@@H]1CN(CC(O)Cn2cnc(N)c3ncnc2-3)C[C@@H](C)O1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.41
MAPK1 P28482 2/20 0.40
ALDH1A1 P00352 4/20 0.39
GAA P10253 2/20 0.39
TSHR P16473 1/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
THRB P10828 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 2/20 0.36
ADORA2A P29274 2/20 0.35
AHCY P23526 1/20 0.35
ADORA1 P30542 1/20 0.33
LMNA P02545 1/20 0.32
EBP Q15125 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
PIK3CB P42338 1/20 0.31

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
SCHEMBL11283124 1.00 L3MBTL1 (0.41) L3MBTL1MAPK1ALDH1A1GAATSHR
SCHEMBL11275393 0.80 AHCY (0.60) ALDH1A1ADORA2AAHCYADORA1
SCHEMBL11282682 0.80 AHCY (0.60) ALDH1A1ADORA2AAHCYADORA1
SCHEMBL11280448 0.78 ADORA2A (0.37) ALDH1A1ADORA2AAHCYADORA1
SCHEMBL28115671 0.75 ADORA2A (0.56) ALDH1A1SMN1; SMN2ADORA2AAHCYADORA1
SCHEMBL10569301 0.73 KMT2A (0.49) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL10570833 0.73 KMT2A (0.49) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL10569307 0.73 KMT2A (0.49) ALDH1A1GAATSHRMEN1KMT2A
SCHEMBL11132662 0.71 ALDH1A1 (0.54) L3MBTL1MAPK1ALDH1A1GAATSHR
SCHEMBL28025689 0.69 ALDH1A1 (0.46) ALDH1A1ADORA2AAHCYADORA1

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-0052964-A1 Adenine derivatives possessing pharmacological activity BEECHAM GROUP PLC (GB) 1982-06-02 EP disclosed