SCHEMBL2292790

SCHEMBL2292790

Nc1ncnc2c1ncn2[C@]1(C(=O)c2ccccc2S(=O)(=O)F)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.41
ADORA2A P29274 2/20 0.41
PI4KA P42356 2/20 0.41
PI4K2B Q8TCG2 2/20 0.41
PI4K2A Q9BTU6 2/20 0.41
PI4KB Q9UBF8 2/20 0.41
DPP4 P27487 1/20 0.41
MEN1 O00255 1/20 0.41
SLC28A1 O00337 1/20 0.41
MAP3K7 O43318 1/20 0.41
SLC28A2 O43868 1/20 0.41
GAPDH P04406 1/20 0.41
MAPK1 P28482 1/20 0.41
ADORA2B P29275 1/20 0.41
ADORA1 P30542 1/20 0.41
STAT6 P42226 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
DOT1L Q8TEK3 1/20 0.41
SLC29A1 Q99808 1/20 0.41

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
SCHEMBL5179761 0.85 ABCB1 (0.51) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL441536 0.85 EGFR (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL31644935 0.85 EGFR (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL6426189 0.84 SLC28A2 (0.43) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL30041710 0.81 DOT1L (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
Phosphoric Acid SCHEMBL16070005 0.81 ADORA3 (0.42) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1271977 0.81 CA1 (0.44) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL9501856 0.81 EGFR (0.43) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL2463541 0.80 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL29655156 0.80 ADORA3 (0.50) 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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014018862-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A HEAT SHOCK PROTEIN INHIBITOR AND A|PURINE DE NOVO SYNTHESIS INHIBITOR FOR TREATING RHEUMATOID ARTHRITIS OR CANCER CORNING INCORPORATED (US) 2014-01-30 WO claimed
WO-2014018862-A1 PHARMACEUTICAL COMPOSITIONS COMPRISING A HEAT SHOCK PROTEIN INHIBITOR AND A|PURINE DE NOVO SYNTHESIS INHIBITOR FOR TREATING RHEUMATOID ARTHRITIS OR CANCER CORNING INCORPORATED (US) 2014-01-30 WO disclosed
EP-2668506-A1 SEED TRAIT PREDICTION BY ACTIVITY-BASED PROTEIN PROFILING Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2013-12-04 EP disclosed
EP-2537027-A1 METHODS RELATED TO CASEIN KINASE II (CK2) INHIBITORS AND THE USE OF PURINOSOME-DISRUPTING CK2 INHIBITORS FOR ANTI-CANCER THERAPY AGENTS Corning Incorporated (US) 2012-12-26 EP disclosed
WO-2012100963-A1 SEED TRAIT PREDICTION BY ACTIVITY-BASED PROTEIN PROFILING MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2012-08-02 WO disclosed
US-20110207789-A1 METHODS RELATED TO CASEIN KINASE II (CK2) INHIBITORS AND THE USE OF PURINOSOME-DISRUPTING CK2 INHIBITORS FOR ANTI-CANCER THERAPY AGENTS CORNING INCORPORATED 2011-08-25 US disclosed
WO-2011103224-A1 METHODS RELATED TO CASEIN KINASE II (CK2) INHIBITORS AND THE USE OF PURINOSOME-DISRUPTING CK2 INHIBITORS FOR ANTI-CANCER THERAPY AGENTS CORNING INCORPORATED (US) 2011-08-25 WO disclosed
US-7264809-B1 Methods of inhibiting platelet activation and recruitment IMMUNEX CORPORATION (US) 2007-09-04 US disclosed
EP-0698089-B1 NUCLEIC ACID ENCODING AMP-ACTIVATED PROTEIN KINASE ASTRAZENECA AB (SE) 2007-03-14 EP disclosed
US-7078209-B2 CAK inhibitors and uses thereof VERTEX PHARMACEUTICALS INCORPORATED (US) 2006-07-18 US disclosed
WO-2002098876-A1 CAK INHIBITORS AND USES THEREOF VERTEX PHARMACEUTICALS INCORPORATED (US) 2002-12-12 WO disclosed
EP-1123306-A4 INHIBITORS OF PLATELET ACTIVATION AND RECRUITMENT IMMUNEX CORP (US) 2002-07-03 EP disclosed
US-20020002277-A1 Inhibitors of platelet activation and recruitment IMMUNEX CORPORATION 2002-01-03 US disclosed
EP-1123306-A1 INHIBITORS OF PLATELET ACTIVATION AND RECRUITMENT IMMUNEX CORPORATION (US) 2001-08-16 EP disclosed
US-6258547-B1 ENZYMATIC POLYPEPTIDE; FOR TREATMENT OF HYPERCHOLESTEROLAEMIA ZENECA LIMITED (GB) 2001-07-10 US disclosed
WO-2000023459-A1 INHIBITORS OF PLATELET ACTIVATION AND RECRUITMENT IMMUNEX CORPORATION (US) 2000-04-27 WO disclosed
WO-2000023094-A2 METHODS OF INHIBITING PLATELET ACTIVATION AND RECRUITMENT IMMUNEX CORPORATION (US) 2000-04-27 WO disclosed
EP-0690924-A1 ANTI-MICROBIAL AGENTS AND SCREENING METHOD THEREFOR THE UNIVERSITY OF DUNDEE, UNIVERSITY COURT (GB) 1996-01-10 EP disclosed
WO-1994028116-A1 NUCLEIC ACID ENCODING AMP-ACTIVATED PROTEIN KINASE ZENECA LIMITED (GB) 1994-12-08 WO disclosed
WO-1994023059-A2 ANTI-MICROBIAL AGENTS AND SCREENING METHOD THEREFOR THE UNIVERSITY COURT OF THE UNIVERSITY OF DUNDEE (GB) 1994-10-13 WO disclosed