SCHEMBL6203816

SCHEMBL6203816

COc1cccc(-n2ncc3c(NN)ncnc32)c1

nearest known ligand 0.68

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.68
KDM4E B2RXH2 3/20 0.68
ALDH1A1 P00352 3/20 0.68
LMNA P02545 2/20 0.68
GAA P10253 2/20 0.68
HTT P42858 2/20 0.68
HSD17B10 Q99714 3/20 0.68
MEN1 O00255 1/20 0.68
NPC1 O15118 1/20 0.68
HPGD P15428 1/20 0.68
XBP1 P17861 1/20 0.68
RAB9A P51151 1/20 0.68
KMT2A Q03164 1/20 0.68
NPSR1 Q6W5P4 1/20 0.68
GSK3B P49841 15/20 0.67
GSK3A P49840 4/20 0.63
MAPK1 P28482 2/20 0.62
SMN1; SMN2 Q16637 1/20 0.62

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
SCHEMBL8342647 0.88 KDM4E (0.65) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6206370 0.86 KDM4E (0.73) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6204720 0.85 KDM4E (0.74) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL8342658 0.85 GSK3B (0.65) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL4926416 0.84 MAPT (0.72) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL3875705 0.84 XDH (0.74) MAPTKDM4EALDH1A1HTTHSD17B10
SCHEMBL4923684 0.83 LMNA (0.75) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6275801 0.82 LMNA (0.71) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6206404 0.82 LMNA (0.71) MAPTKDM4EALDH1A1LMNAGAA
SCHEMBL6204905 0.82 MAPT (0.71) MAPTKDM4EALDH1A1LMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1551841-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-07-13 EP disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed
WO-2004009602-A1 PYRAZOLOPYRIMIDINES AS KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed