SCHEMBL6207362

SCHEMBL6207362

Cc1ccc(-n2ncc3c(NN=Cc4ccc(NC(=O)O)nc4)ncnc32)cc1

nearest known ligand 0.57

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 15/20 0.57
GSK3A P49840 5/20 0.57
ADORA1 P30542 1/20 0.54
KDM4E B2RXH2 2/20 0.53
ALDH1A1 P00352 2/20 0.53
ALPL P05186 1/20 0.53
MAPT P10636 3/20 0.52
LMNA P02545 2/20 0.50
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HSD17B10 Q99714 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49

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
SCHEMBL6363280 0.87 GSK3B (0.65) GSK3BGSK3AADORA1KDM4EMAPT
SCHEMBL6363291 0.87 GSK3B (0.65) GSK3BGSK3AADORA1KDM4EMAPT
SCHEMBL8342954 0.86 GSK3B (0.71) GSK3BGSK3AADORA1KDM4EALDH1A1
SCHEMBL6071654 0.84 GSK3B (0.67) GSK3BGSK3AADORA1MAPTMEN1
SCHEMBL6071675 0.84 GSK3B (0.67) GSK3BGSK3AADORA1MAPTMEN1
SCHEMBL8344273 0.84 GSK3B (0.61) GSK3BGSK3AADORA1ALDH1A1MAPT
SCHEMBL6363435 0.83 GSK3B (0.59) GSK3BGSK3AADORA1
SCHEMBL6363440 0.83 GSK3B (0.59) GSK3BGSK3AADORA1
SCHEMBL6368829 0.77 GSK3B (0.79) GSK3BGSK3AADORA1KDM4EALDH1A1
SCHEMBL6363383 0.77 GSK3B (0.78) GSK3BGSK3AADORA1RAB9AMEN1

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-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