SCHEMBL8344599

SCHEMBL8344599

COc1ccccc1-n1ncc2c(N(N)Cl)ncnc21

nearest known ligand 0.58

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 15/20 0.58
SLC2A3 P11169 15/20 0.58
SLC2A2 P11168 9/20 0.58
GSK3B P49841 1/20 0.50
MAPT P10636 4/20 0.48
LMNA P02545 2/20 0.48
TP53 P04637 1/20 0.48
CYP17A1 P05093 1/20 0.48
CYP1A2 P05177 1/20 0.48
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48

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
SCHEMBL838951 0.81 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL838296 0.80 SLC2A1 (0.66) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL6205196 0.79 SLC2A1 (0.65) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL6224888 0.78 GSK3B (0.62) SLC2A1SLC2A3SLC2A2GSK3BMAPT
Hydrochloric Acid SCHEMBL6205326 0.77 GSK3B (0.61) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL15105528 0.71 CYP17A1 (0.62) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL8344245 0.70 TP53 (0.49) GSK3BMAPTLMNATP53CYP1A2
SCHEMBL25343478 0.69 MAPT (0.52) SLC2A1SLC2A3SLC2A2GSK3BMAPT
SCHEMBL15105468 0.68 CYP17A1 (0.70) SLC2A1SLC2A3SLC2A2GSK3BCYP17A1
SCHEMBL15105690 0.68 CYP17A1 (0.57) SLC2A1SLC2A3SLC2A2GSK3BMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed