SCHEMBL8344611

SCHEMBL8344611

Cc1ccccc1-n1ncc2c(C)ncnc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.56
SLC2A2 P11168 2/20 0.56
SLC2A3 P11169 2/20 0.56
GSK3B P49841 1/20 0.54
LMNA P02545 7/20 0.52
HTT P42858 5/20 0.52
RAB9A P51151 4/20 0.52
SMN1; SMN2 Q16637 4/20 0.52
NPC1 O15118 2/20 0.52
TSHR P16473 2/20 0.52
HSD17B10 Q99714 1/20 0.52
TP53 P04637 4/20 0.50
POLB P06746 1/20 0.48
ALDH1A1 P00352 6/20 0.47
KDM4E B2RXH2 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
GAA P10253 2/20 0.47
MAPT P10636 2/20 0.47
HPGD P15428 2/20 0.47
NTSR1 P30989 1/20 0.47

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
SCHEMBL839657 0.85 SLC2A1 (0.54) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL8344398 0.81 LMNA (0.67) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL24393325 0.81 ALDH1A1 (0.67) LMNAHTTRAB9ASMN1; SMN2NPC1
SCHEMBL15113006 0.76 GSK3B (0.49) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL15113007 0.74 SLC2A1 (0.46) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL30948485 0.74 HTT (0.72) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL3424926 0.74 TP53 (0.54) SLC2A1SLC2A2SLC2A3GSK3BLMNA
SCHEMBL368464 0.71 CYP17A1 (0.77) GSK3B
SCHEMBL3612259 0.71 FSCN1 (0.54) LMNAHTTRAB9ASMN1; SMN2HSD17B10
SCHEMBL13082426 0.71 NPC1 (0.56) LMNAHTTRAB9ASMN1; SMN2NPC1

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