SCHEMBL9620170

SCHEMBL9620170

COC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@@H]2OC(C)(C)O[C@@H]21

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 2/20 0.77
PI4K2B Q8TCG2 2/20 0.77
PI4K2A Q9BTU6 2/20 0.77
PI4KB Q9UBF8 2/20 0.77
RXFP1 Q9HBX9 1/20 0.75
P2RX3 P56373 3/20 0.68
P2RX1 P51575 2/20 0.68
P2RX4 Q99571 2/20 0.68
AMD1 P17707 3/20 0.62
GAA P10253 1/20 0.53
ADORA1 P30542 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
DPP4 P27487 1/20 0.51
MEN1 O00255 1/20 0.51
SLC28A1 O00337 1/20 0.51
MAP3K7 O43318 1/20 0.51
SLC28A2 O43868 1/20 0.51
GAPDH P04406 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MAPK1 P28482 1/20 0.51

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
SCHEMBL14394817 0.90 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12801404 0.90 PI4KA (0.74) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL16128949 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9940610 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12928304 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL460251 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL460252 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL12899828 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL10001405 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL17108374 0.88 PI4KA (0.82) PI4KAPI4K2BPI4K2API4KBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011047982-A2 USE OF ADENOSINE AND/OR OF ONE OF ITS DERIVATIVES AS AGENT FOR THE TREATMENT OF HUMAN PERSPIRATION L'OREAL (FR) 2011-04-28 WO disclosed
EP-0269574-B1 NOVEL ADENOSINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AS AN ACTIVE INGREDIENT NIPPON ZOKI PHARMACEUTICAL CO. LTD. (JP) 1992-03-18 EP disclosed
US-4843066-A HYPOTENSIVE AGENTS NIPPON ZOKI PHARMACEUTICAL CO., LTD. (JP) 1989-06-27 US disclosed