SCHEMBL6569314

SCHEMBL6569314

Nc1ncnc2c1ncn2[C@]1(NN[C@@]2(n3cnc4c(N)ncnc43)O[C@H](CO)[C@@H](O)[C@H]2O)O[C@H](CO)[C@@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.52
ADORA2A P29274 3/20 0.52
PI4KA P42356 2/20 0.52
PI4K2B Q8TCG2 2/20 0.52
PI4K2A Q9BTU6 2/20 0.52
PI4KB Q9UBF8 2/20 0.52
SLC28A1 O00337 2/20 0.52
ADORA2B P29275 2/20 0.52
DPP4 P27487 1/20 0.52
MEN1 O00255 1/20 0.52
MAP3K7 O43318 1/20 0.52
SLC28A2 O43868 1/20 0.52
GAPDH P04406 1/20 0.52
MAPK1 P28482 1/20 0.52
ADORA1 P30542 1/20 0.52
STAT6 P42226 1/20 0.52
KMT2A Q03164 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
DOT1L Q8TEK3 1/20 0.52
SLC29A1 Q99808 1/20 0.52

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
SCHEMBL939590 0.92 ADORA3 (0.54) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL10441571 0.91 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL937577 0.89 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1723481 0.88 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL28715703 0.88 ADORA3 (0.50) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL4650244 0.87 ADORA3 (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL11516446 0.87 PI4KA (0.47) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL940812 0.86 ADORA3 (0.45) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL703597 0.86 ADORA3 (0.46) ADORA3ADORA2API4KAPI4K2BPI4K2A
SCHEMBL1900941 0.85 AHCY (0.46) 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0727959-B1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES ADERIS PHARMACEUTICALS INC (US) 2004-10-20 EP disclosed
EP-0727959-A4 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS INC (US) 2000-11-08 EP disclosed
EP-0567094-B1 Hydrazoadenosines DISCOVERY THERAPEUTICS INC (US) 1999-03-03 EP disclosed
EP-0727959-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES Discovery Therapeutics, Inc. (US) 1996-08-28 EP disclosed
US-5477857-A Measuring myocardial function in mammals DISCOVERY THERAPEUTICS, INC. (US) 1995-12-26 US disclosed
WO-1995007049-A1 DIAGNOSTIC USES OF HYDRAZINOADENOSINES DISCOVERY THERAPEUTICS, INC. (US) 1995-03-16 WO disclosed
EP-0567094-A2 Hydrazoadenosines Discovery Therapeutics, Inc. (US) 1993-10-27 EP disclosed