SCHEMBL6536134

SCHEMBL6536134

CCCC(=O)OC[C@H]1O[C@@](C(=O)CCC)(n2cnc3c(N)ncnc32)[C@H](OC(=O)CCC)[C@@H]1OC(=O)CCC

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 1/20 0.38
MARS1 P56192 3/20 0.36
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
AHCY P23526 3/20 0.36
P2RY1 P47900 1/20 0.35
PRKACA P17612 2/20 0.35
AURKA O14965 1/20 0.35
GMPS P49915 1/20 0.35
RXFP1 Q9HBX9 1/20 0.34

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
SCHEMBL6536432 0.84 ADORA3 (0.41) HSP90B1EGFRERBB2AHCYGMPS
SCHEMBL30484548 0.78 MARS1 (0.39) HSP90B1MARS1AHCYP2RY1PRKACA
SCHEMBL6224873 0.76 ADORA2A (0.48) HSP90B1MARS1AHCYPRKACA
SCHEMBL6536153 0.76 PI4KA (0.46) HSP90B1EGFRERBB2AHCYGMPS
SCHEMBL10587742 0.74 AHCY (0.61) HSP90B1MARS1AHCYP2RY1PRKACA
SCHEMBL6536429 0.74 HSP90B1 (0.57) HSP90B1MARS1AHCYP2RY1PRKACA
Phosphoric Acid SCHEMBL18486577 0.73 ADORA1 (0.45) EGFRERBB2P2RY1GMPS
Pyrophosphoric Acid SCHEMBL18486634 0.72 ADORA1 (0.47) P2RY1
SCHEMBL18486644 0.72 P2RX1 (0.54) P2RY1
SCHEMBL18486587 0.71 P2RX1 (0.55) P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1466004-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS Innovate Biotechnology S.R.L. (IT) 2004-10-13 EP disclosed
WO-2003057894-A1 PROCESS FOR THE SELECTIVE ENZYMATIC HYDROLYSIS OF NUCLEOSIDE POLYESTERS INNOVATE BIOTECHNOLOGY S.R.L. (IT) 2003-07-17 WO disclosed