SCHEMBL9810756

SCHEMBL9810756

Cc1cn([C@@H]2O[C@H](CNC(=O)c3ccccc3F)C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
P2RY2 P41231 2/20 0.45
PYGM P11217 1/20 0.44
NT5E P21589 1/20 0.44
P2RY6 Q15077 1/20 0.44
P2RY14 Q15391 1/20 0.44

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
SCHEMBL9810807 0.86 P2RY2 (0.49) P2RY2PYGMP2RY6
SCHEMBL9810751 0.85 P2RY2 (0.43) P2RY2PYGM
SCHEMBL9780779 0.83
SCHEMBL9780788 0.83
SCHEMBL9810750 0.81 PYGM (0.51) P2RY2PYGMP2RY6
SCHEMBL9810782 0.81 PYGM (0.46) P2RY2PYGM
SCHEMBL9810754 0.78 PYGM (0.50) P2RY2PYGMP2RY6
SCHEMBL9810760 0.78 P2RY2 (0.44) P2RY2PYGMP2RY6P2RY14
SCHEMBL9643485 0.77 P2RY2 (0.48) P2RY2PYGM
SCHEMBL9810767 0.77 PYGM (0.48) PYGM

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-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP claimed
EP-0257378-B1 PYRIMIDINE DERIVATIVES, THEIR PREPARATION AND MEDICAMENTS CONTAINING THESE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1991-07-03 EP disclosed