SCHEMBL7104522

SCHEMBL7104522

N=C1N=c2cccc(CCCNc3nccc(-c4ccc(O)cc4)n3)c2=N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.38
PLK1 P53350 3/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
PIM1 P11309 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
MAPT P10636 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
XBP1 P17861 2/20 0.34
MAPK1 P28482 2/20 0.34
HTT P42858 2/20 0.34
CDK5 Q00535 2/20 0.34
CDK5R1 Q15078 2/20 0.34
KDM4E B2RXH2 1/20 0.34
PAX8 Q06710 1/20 0.34
DYRK1B Q9Y463 2/20 0.33
MKNK1 Q9BUB5 3/20 0.33
MKNK2 Q9HBH9 2/20 0.33
ALDH1A1 P00352 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
SCHEMBL5092000 0.73 PLK1 (0.39) JAK2PLK1PIM1PIM2MAPT
SCHEMBL5091979 0.73 PLK1 (0.39) JAK2PLK1PIM1PIM2CDK5
SCHEMBL5091970 0.70 PIM1 (0.39) JAK2PLK1MEN1KMT2APIM1
SCHEMBL5101136 0.69 DRD4 (0.51) JAK2MEN1KMT2APIM1PIM2
SCHEMBL5100147 0.68 POLB (0.48) MAPTHTTPOLBEIF2AK2
SCHEMBL5091272 0.68 JAK2 (0.41) JAK2MEN1KMT2APIM1PIM2
SCHEMBL7854769 0.67 JAK2 (0.36) JAK2PLK1MEN1KMT2APIM1
SCHEMBL5091556 0.66 DYRK1A (0.56) JAK2MEN1KMT2AMAPTNPC1
SCHEMBL7104529 0.65 EIF2AK2 (0.40) JAK2PLK1DYRK1BMKNK1MKNK2
SCHEMBL5089098 0.64 PIM1 (0.38) JAK2PLK1MEN1KMT2APIM1

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-1317433-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2003-06-11 EP disclosed
WO-2002020495-A2 INHIBITORS OF GLYCOGEN SYNTHASE KINASE 3 CHIRON CORPORATION (US) 2002-03-14 WO disclosed