SCHEMBL25564637

SCHEMBL25564637

CC[C@@](O)([C@H](O)[C@H](COP(=O)(O)OP(=O)(O)OP(=O)(O)O)OC)n1cnc2c(N)ncnc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ENPP1 P22413 2/20 0.50
ENPP3 O14638 1/20 0.49
P2RX1 P51575 3/20 0.44
P2RX3 P56373 3/20 0.44
P2RX2 Q9UBL9 2/20 0.44
P2RY1 P47900 5/20 0.44
P2RY2 P41231 5/20 0.44
P2RY11 Q96G91 1/20 0.44
PI4KA P42356 1/20 0.43
PI4K2B Q8TCG2 1/20 0.43
PI4K2A Q9BTU6 1/20 0.43
PI4KB Q9UBF8 1/20 0.43
ENTPD1 P49961 1/20 0.42
P2RX4 Q99571 2/20 0.41
RNASEL Q05823 1/20 0.41
SRC P12931 1/20 0.41
ALDH1A1 P00352 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL19993815 0.89 ENPP1 (0.54) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL23171493 0.86 ENPP1 (0.49) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19050103 0.76 ENPP1 (0.41) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19536267 0.76 ENPP1 (0.41) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL14853803 0.74 ENPP1 (0.61) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL19993770 0.74 ENPP1 (0.50) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL26019458 0.74 ENPP1 (0.52) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL23225617 0.73 ENPP1 (0.39) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL17384900 0.73 ENPP1 (0.47) ENPP1ENPP3P2RX1P2RX3P2RX2
SCHEMBL5080093 0.72 PI4KA (0.63) PI4KAPI4K2BPI4K2API4KBALDH1A1

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-3013340-B1 SUBSTITUTED NUCLEOSIDES, NUCLEOTIDES AND ANALOGS THEREOF JANSSEN BIOPHARMA INC (US) 2023-06-07 EP disclosed