SCHEMBL5859569

SCHEMBL5859569

COc1cccc(C(c2ccccc2)(c2ccccc2)[C@@]2(n3cnc4c(N)ncnc43)O[C@H](CO)[C@@H](O)[C@H]2O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 3/20 0.43
PI4K2B Q8TCG2 3/20 0.43
PI4K2A Q9BTU6 3/20 0.43
PI4KB Q9UBF8 3/20 0.43
SLC28A2 O43868 2/20 0.43
ADORA1 P30542 3/20 0.42
ADORA2A P29274 4/20 0.40
ADORA2B P29275 2/20 0.40
ADORA3 P0DMS8 2/20 0.39
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
SLC28A1 O00337 1/20 0.38
MAP3K7 O43318 1/20 0.38
GAPDH P04406 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT6 P42226 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DOT1L Q8TEK3 1/20 0.38
SLC29A1 Q99808 1/20 0.38

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
SCHEMBL1068569 0.93 ADORA1 (0.44) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL9705275 0.90 ADORA3 (0.46) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL10381790 0.87 ADORA1 (0.43) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL6852710 0.83 ADORA1 (0.48) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL674400 0.83 ADORA1 (0.48) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL31645122 0.81 ADORA1 (0.45) ADORA1ADORA2AADORA3SMN1; SMN2
SCHEMBL7812798 0.81 ADORA1 (0.40) PI4KAPI4K2BPI4K2API4KBSLC28A2
SCHEMBL1068353 0.80 ADORA2A (0.41) ADORA1ADORA2AADORA2BADORA3
SCHEMBL16496887 0.80 TYMP (0.35) ADORA1ADORA2AADORA2BADORA3GAPDH
SCHEMBL8970900 0.78 SLC29A1 (0.37) ADORA1ADORA2AADORA2BADORA3SLC29A1

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
US-7083987-B2 Activity based probe analysis ACTIVX BIOSCIENCES, INC. (US) 2006-08-01 US disclosed
EP-1364209-A4 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES INC (US) 2004-04-14 EP disclosed
EP-1364209-A2 ACTIVITY BASED PROBE ANALYSIS Activx Biosciences, Inc. (US) 2003-11-26 EP disclosed
US-20030175986-A1 Activity based probe analysis ACTIVX BIOSCIENCES, INC. 2003-09-18 US disclosed
US-20030134303-A1 Adenine nucleotide-binding protein-directed probes, and methods of their synthesis and use ACTIVX BIOSCIENCES, INC, 2003-07-17 US disclosed
WO-2003050248-A2 ADENINE NUCLEOTIDE-BINDING PROTEIN-DIRECTED PROBES AND METHODS OF THEIR SYNTHESIS AND USE ACTIVX BIOSCIENCES, INC. (US) 2003-06-19 WO disclosed
WO-2002063271-A2 ACTIVITY BASED PROBE ANALYSIS ACTIVX BIOSCIENCES, INC. (US) 2002-08-15 WO disclosed