SCHEMBL9810767

SCHEMBL9810767

Cc1cn([C@@H]2O[C@H](CNC(=O)Cc3c(Cl)cccc3Cl)C(O)C2O)c(=O)[nH]c1=O

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
PYGM P11217 1/20 0.48

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
SCHEMBL9810782 0.86 PYGM (0.46) PYGM
SCHEMBL9780751 0.84
SCHEMBL9780739 0.84
SCHEMBL9810754 0.83 PYGM (0.50) PYGM
SCHEMBL9810761 0.80 PYGM (0.42) PYGM
SCHEMBL9810807 0.80 P2RY2 (0.49) PYGM
SCHEMBL9810803 0.79 KDM4E (0.44) PYGM
SCHEMBL9810756 0.77 P2RY2 (0.45) PYGM
SCHEMBL9810750 0.76 PYGM (0.51) PYGM
SCHEMBL9643542 0.75 PYGM (0.49) 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