SCHEMBL9856521

SCHEMBL9856521

Cc1cn([C@H]2C=C[C@@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O2)c(=O)nc1N

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLG P54098 2/20 0.50
P2RY2 P41231 10/20 0.45
P2RY4 P51582 2/20 0.42
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
POLD1 P28340 1/20 0.42
P2RY6 Q15077 3/20 0.41
ENPP1 P22413 2/20 0.40
P2RY1 P47900 2/20 0.40
P2RX1 P51575 1/20 0.40
P2RX3 P56373 1/20 0.40
P2RY11 Q96G91 1/20 0.40
P2RX4 Q99571 1/20 0.40
RNASEL Q05823 1/20 0.40
P2RY12 Q9H244 1/20 0.39

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
SCHEMBL1740952 0.88 POLG (0.64) POLGP2RY2P2RY4P2RY6ENPP1
SCHEMBL9856523 0.82 POLG (0.63) POLGP2RY2P2RY4POLBP2RY6
Stavudine Triphosphate SCHEMBL987898 0.81 POLB (0.60) P2RY2POLBPOLA1POLD1P2RY6
Stavudine Triphosphate SCHEMBL26731736 0.81 POLB (0.60) P2RY2POLBPOLA1POLD1P2RY6
SCHEMBL9856279 0.80 POLG (0.57) POLGP2RY2P2RY4POLBPOLA1
SCHEMBL13199316 0.80 POLG (0.57) POLGP2RY2P2RY4POLBPOLA1
SCHEMBL9856583 0.80 POLG (0.56) POLGP2RY2P2RY4POLBPOLA1
SCHEMBL624932 0.80 P2RY2 (0.68) P2RY2P2RY4P2RY6ENPP1P2RY1
SCHEMBL16805401 0.80 P2RY2 (0.68) P2RY2P2RY4P2RY6ENPP1P2RY1
SCHEMBL667969 0.80 P2RY2 (0.68) P2RY2P2RY4P2RY6ENPP1P2RY1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0409227-A2 Pyrimidine nucleosides, their preparation and pharmaceutical preparations MATTHES, Eckart, Dr. (DE) 1991-01-23 EP disclosed