SCHEMBL8339641

SCHEMBL8339641

CCOc1cccc(-n2ncc3c(Cl)ncnc32)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.57
MAPT P10636 11/20 0.53
KDM4E B2RXH2 4/20 0.53
HSD17B10 Q99714 4/20 0.53
TP53 P04637 10/20 0.50
LMNA P02545 8/20 0.50
TDP1 Q9NUW8 1/20 0.50
NPSR1 Q6W5P4 3/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
HTT P42858 1/20 0.49
BLM P54132 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
TSHR P16473 1/20 0.48
ALDH1A1 P00352 2/20 0.47
HPGD P15428 2/20 0.47
MEN1 O00255 1/20 0.47
XBP1 P17861 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 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
SCHEMBL839950 0.87 SLC2A1 (0.60) GSK3BMAPTKDM4EHSD17B10LMNA
SCHEMBL8338958 0.85 GSK3B (0.57) GSK3BMAPTKDM4EHSD17B10TP53
SCHEMBL8342647 0.82 KDM4E (0.65) GSK3BMAPTKDM4EHSD17B10TP53
SCHEMBL840324 0.82 NPC1 (0.71) MAPTKDM4EHSD17B10TP53LMNA
SCHEMBL8344605 0.81 LMNA (0.52) MAPTKDM4EHSD17B10TP53LMNA
SCHEMBL6224500 0.81 MAPT (0.65) MAPTKDM4EHSD17B10TP53LMNA
SCHEMBL6225759 0.79 SLC2A1 (0.58) GSK3BMAPTKDM4EHSD17B10TP53
SCHEMBL8344595 0.79 GSK3B (0.54) GSK3BMAPTKDM4EHSD17B10TP53
SCHEMBL3428361 0.79 TP53 (0.50) MAPTKDM4EHSD17B10TP53LMNA
SCHEMBL30034914 0.78 ALDH1A1 (0.67) MAPTKDM4EHSD17B10TP53LMNA

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