SCHEMBL6237563

SCHEMBL6237563

COc1cccc(-n2ncc3c(NN)cncc32)n1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 1/20 0.43
MAP4K1 Q92918 2/20 0.42
IRAK4 Q9NWZ3 12/20 0.40
PIM1 P11309 2/20 0.39
PIM3 Q86V86 2/20 0.39
PIM2 Q9P1W9 2/20 0.39
MAPK8 P45983 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK10 P53779 1/20 0.33
ALOX5 P09917 1/20 0.33
TGFBR1 P36897 1/20 0.33

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
SCHEMBL6237291 0.76 CYP17A1 (0.46) GSK3BIRAK4PIM1PIM3PIM2
SCHEMBL6071515 0.73 GSK3B (0.63) GSK3B
SCHEMBL6390136 0.72 ALDH1A1 (0.48)
SCHEMBL6277293 0.70 XDH (0.43)
SCHEMBL6274665 0.67 CCR1 (0.36)
SCHEMBL6071445 0.66 GSK3B (0.55) GSK3BMAP4K1
SCHEMBL6071785 0.66 GSK3B (0.55) GSK3BMAP4K1
SCHEMBL10515677 0.65 NPC1 (0.57) IRAK4
SCHEMBL6071421 0.64 KMT2A (0.51) GSK3BMAP4K1IRAK4
SCHEMBL6253146 0.63 GSK3B (0.40) GSK3B

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-1523314-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SmithKline Beecham Corporation (US) 2005-04-20 EP disclosed
WO-2004009597-A2 PYRAZOLOPYRIMIDINES AS PROTEIN KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-01-29 WO disclosed