SCHEMBL17825952

SCHEMBL17825952

OC[C@H]1OC(c2nc3ncnc(NCc4ccc(I)cc4)c3[nH]2)C[C@@H]1O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CSF1R P07333 2/20 0.43
EGFR P00533 1/20 0.43
SLC29A1 Q99808 5/20 0.40
PRMT1 Q99873 1/20 0.35
ADORA3 P0DMS8 3/20 0.35
ADORA2A P29274 2/20 0.35
ADORA2B P29275 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
TSHR P16473 1/20 0.34
CDK2 P24941 1/20 0.34
MAPK1 P28482 1/20 0.34
TP53 P04637 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
NAE1 Q13564 2/20 0.34
UBA3 Q8TBC4 2/20 0.34
PPARD Q03181 1/20 0.33

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 0.84 CDC7 (0.49) CSF1REGFRADORA3ADORA2AADORA1
SCHEMBL17825908 0.82 SLC28A2 (0.44) CSF1REGFRLMNAMAPK1TP53
SCHEMBL17825943 0.80 TSHR (0.50) EGFRADORA3ADORA2ALMNACYP1A2
SCHEMBL12541692 0.77 HIF1A (0.33) ADORA3ADORA2AADORA1LMNATP53
SCHEMBL4279999 0.76 GRIN2B (0.41) LMNATP53
SCHEMBL14873502 0.69 SLC29A1 (0.76) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL9913215 0.69 SLC29A1 (0.76) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL19583010 0.69 SLC29A1 (0.76) SLC29A1ADORA3ADORA2AADORA2BADORA1
SCHEMBL17824385 0.68 GRIN2B (0.41)
SCHEMBL7665516 0.68 ADORA3 (0.46) SLC29A1ADORA3ADORA2AADORA2BADORA1

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