SCHEMBL7435441

SCHEMBL7435441

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.50
ADORA2A P29274 3/20 0.50
PI4KA P42356 3/20 0.50
PI4K2B Q8TCG2 3/20 0.50
PI4K2A Q9BTU6 3/20 0.50
PI4KB Q9UBF8 3/20 0.50
SLC28A1 O00337 2/20 0.50
DOT1L Q8TEK3 2/20 0.50
DPP4 P27487 1/20 0.50
MEN1 O00255 1/20 0.50
MAP3K7 O43318 1/20 0.50
SLC28A2 O43868 1/20 0.50
GAPDH P04406 1/20 0.50
MAPK1 P28482 1/20 0.50
ADORA2B P29275 1/20 0.50
ADORA1 P30542 1/20 0.50
STAT6 P42226 1/20 0.50
KMT2A Q03164 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
SLC29A1 Q99808 1/20 0.50

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
SCHEMBL29721329 1.00 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
Benzene SCHEMBL27650186 0.98 PI4KA (0.48) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2270700 0.92 ADORA2A (0.51) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6935395 0.90 EGFR (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6829143 0.90 PI4KA (0.48) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL16112350 0.89 PI4KA (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL27597373 0.88 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL31170697 0.88 PI4KA (0.39) PI4KAPI4K2BPI4K2API4KBADORA1
SCHEMBL13268818 0.87 PI4KA (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL5525776 0.87 PI4KA (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023091791-A1 METHODS OF TREATING NEUROLOGICAL AND CARDIOVASCULAR CONDITIONS ASTROCYTE PHARMACEUTICALS, INC. (US) 2023-05-25 WO disclosed
EP-0906574-A4 METHODS AND KITS FOR THE DETECTION OF ENDOTOXIN UNIV PENNSYLVANIA (US) 2001-01-03 EP disclosed
EP-0799045-B1 TREATMENT OF HYPEREXCITED NERVE CELL FUNCTIONS ITEM DEV AB (SE) 2000-08-16 EP disclosed
EP-0906574-A1 METHODS AND KITS FOR THE DETECTION OF ENDOTOXIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1999-04-07 EP disclosed
WO-1997044665-A9 METHODS AND KITS FOR THE DETECTION OF ENDOTOXIN 1999-01-21 WO disclosed
WO-1997044665-A1 METHODS AND KITS FOR THE DETECTION OF ENDOTOXIN THE TRUSTEES OF THE UNIVERSITY OF PENNSYLVANIA (US) 1997-11-27 WO disclosed
US-5691318-A NERVOUS SYSTEM DISORDERS AND MEDICAL DIAGNOSIS ITEM DEVELOPMENT AB 1997-11-25 US disclosed
EP-0799045-A1 NEW METHOD OF TREATMENT ITEM DEVELOPMENT AB (SE) 1997-10-08 EP disclosed
US-5565566-A N6-(ENDO(1R,2S,4S)-2-NORBORNYL)-9-METHYLADENINE OR N6-(ENDO(1S,2R,4R)-2-NORBORNYL)-9-METHYLADENINE DISCOVERY THERAPEUTICS, INC. (US) 1996-10-15 US disclosed
WO-1995029680-A1 NEW METHOD OF TREATMENT ITEM DEVELOPMENT AB (SE) 1995-11-09 WO disclosed
EP-0383465-B1 Tricyclic fused pyrimidine derivatives, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1995-05-03 EP disclosed
US-5256398-A Mixture of adenosine, or an adenosine antagonist, with an adenosine receptor WHITBY RESEARCH, INC. (US) 1993-10-26 US disclosed
EP-0457773-A4 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS 1993-03-10 EP disclosed
US-5117830-A Dilating the vascular system with adenosine; labeling; supplying a adenosine recetor antagonist WHITBY RESEARCH, INC. (US) 1992-06-02 US disclosed
EP-0457773-A1 N?6 -SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, Inc. (US) 1991-11-27 EP disclosed
US-5032594-A Adenosine antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-07-16 US disclosed
WO-1990009178-A1 N6-SUBSTITUTED 9-METHYLADENINES: A NEW CLASS OF ADENOSINE RECEPTOR ANTAGONISTS WHITBY RESEARCH, INC. (US) 1990-08-23 WO disclosed
EP-0383465-A2 Tricyclic fused pyrimidine derivatives, their production and use Takeda Chemical Industries, Ltd. (JP) 1990-08-22 EP disclosed