SCHEMBL7528154

SCHEMBL7528154

CCc1nc(O)c2ncn([C@@H]3O[C@H](COC)[C@H]4OC(C)(C)O[C@H]43)c2n1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PI4KA P42356 1/20 0.48
PI4K2B Q8TCG2 1/20 0.48
PI4K2A Q9BTU6 1/20 0.48
PI4KB Q9UBF8 1/20 0.48
RXFP1 Q9HBX9 1/20 0.47
P2RX1 P51575 1/20 0.45
P2RX3 P56373 1/20 0.45
P2RX4 Q99571 1/20 0.45
ADORA3 P0DMS8 4/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
AMD1 P17707 2/20 0.39
ADORA2A P29274 1/20 0.38

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
SCHEMBL7533606 0.89 RXFP1 (0.47) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL307825 0.79 PI4KA (0.65) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6663698 0.79 RXFP1 (0.48) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL24981785 0.77 RXFP1 (0.50) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6659329 0.76 RXFP1 (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL6659324 0.76 RXFP1 (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL9620170 0.76 PI4KA (0.77) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL260752 0.75 PI4KA (0.69) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL260760 0.75 PI4KA (0.59) PI4KAPI4K2BPI4K2API4KBRXFP1
SCHEMBL18512558 0.74 PI4KA (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0901499-B1 ADENOSINE DERIVATIVES GLAXO GROUP LTD (GB) 2002-04-10 EP disclosed
US-5998388-A N6-PHENYL-SUBSTITUTED GLAXO WELLCOME INC. (US) 1999-12-07 US disclosed