SCHEMBL17825908

SCHEMBL17825908

COc1cccc(CNc2ncnc3nc(C4C[C@H](O)[C@@H](CO)O4)[nH]c23)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC28A2 O43868 1/20 0.44
TP53 P04637 1/20 0.42
HTT P42858 2/20 0.42
EGFR P00533 4/20 0.41
KDR P35968 1/20 0.41
MAPK1 P28482 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
AURKA O14965 1/20 0.40
RPS6KB1 P23443 1/20 0.40
PDE5A O76074 1/20 0.40
CSF1R P07333 3/20 0.39
PPARD Q03181 1/20 0.39
STAT3 P40763 1/20 0.38
CDK1 P06493 2/20 0.38
MAPT P10636 1/20 0.38
ABL1 P00519 1/20 0.38
LMNA P02545 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37

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
SCHEMBL17826004 0.87 CDC7 (0.49) SLC28A2EGFRCSF1RPPARDCDK1
SCHEMBL17825943 0.83 TSHR (0.50) TP53EGFRMAPK1SMN1; SMN2AURKA
SCHEMBL17825952 0.82 CSF1R (0.43) TP53EGFRMAPK1CSF1RPPARD
SCHEMBL4279999 0.73 GRIN2B (0.41) TP53HTTSMN1; SMN2LMNA
SCHEMBL19583019 0.73 SLC29A1 (0.64)
SCHEMBL12541692 0.72 HIF1A (0.33) TP53HTTSMN1; SMN2LMNA
SCHEMBL1443198 0.69 CDC7 (0.69) TP53HTTEGFRKDRMAPK1
SCHEMBL29827200 0.69 CDC7 (0.69) TP53HTTEGFRKDRMAPK1
SCHEMBL16087047 0.67 AURKA (0.49) SLC28A2TP53HTTKDRMAPK1
SCHEMBL7204775 0.67 ADRB1 (0.32)

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-3229772-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF Univerzita Palackého v Olomouci (CZ) 2017-10-18 EP claimed
WO-2016091236-A1 6-ARYL-9-GLYCOSYLPURINES AND USE THEREOF UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2016-06-16 WO claimed