SCHEMBL7521379

SCHEMBL7521379

Nc1ncnc2c1ncn2[C@H]1C[C@H](NC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](COC(=O)c2ccccc2)O1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 1/20 0.49
P2RX4 Q99571 1/20 0.49
P2RX2 Q9UBL9 1/20 0.49
ABCB1 P08183 1/20 0.48
GSK3A P49840 2/20 0.47
RPS6KA3 P51812 2/20 0.47
MAPK14 Q16539 2/20 0.47
ENPP1 P22413 2/20 0.47
STING1 Q86WV6 1/20 0.47
POLB P06746 1/20 0.46
P2RY1 P47900 1/20 0.46
ADORA1 P30542 2/20 0.46

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
SCHEMBL8666792 0.88 P2RY12 (0.44) P2RY1
SCHEMBL7516040 0.88 P2RY12 (0.44) P2RY1
SCHEMBL19519462 0.85 ADA (0.50) ENPP1POLBP2RY1ADORA1
SCHEMBL17283106 0.85 ADA (0.50) ENPP1POLBP2RY1ADORA1
SCHEMBL338780 0.85 POLB (0.60) P2RX3P2RX4P2RX2ABCB1GSK3A
SCHEMBL19771220 0.84 ADORA1 (0.47) ENPP1STING1POLBP2RY1ADORA1
SCHEMBL19767622 0.84 ADORA1 (0.47) ENPP1STING1POLBP2RY1ADORA1
SCHEMBL19519465 0.84 ADORA1 (0.49) P2RX3P2RX4ENPP1POLBP2RY1
SCHEMBL17283108 0.84 ADORA1 (0.49) P2RX3P2RX4ENPP1POLBP2RY1
SCHEMBL532524 0.83 P2RX3 (0.55) P2RX3P2RX4P2RX2ABCB1GSK3A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882059-B1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS INC (US) 2002-02-06 EP disclosed
EP-0882059-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3-'P5'- PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1998-12-09 EP disclosed
US-5824793-A ACTIVATING A 3'-DEPROTECTED AMINONUCLEOSIDE-5-PHOSPHORAMIDITE WITH TETRAZOLE AND REACTING WITH A 3'-PROTECTED AMINONUCLEOSIDE-5-PHOSPHORAMIDITE; OXIDATION OF THE PHOSPHORUS; LYNX THERAPEUTICS, INC. (US) 1998-10-20 US disclosed
WO-1997031009-A1 SOLID PHASE SYNTHESIS OF OLIGONUCLEOTIDE N3'→P5' PHOSPHORAMIDATES LYNX THERAPEUTICS, INC. (US) 1997-08-28 WO disclosed