SCHEMBL29939489

SCHEMBL29939489

O=C(Nc1cnc(F)cc1N1CCOCC1)c1ccnc(Nc2ccc(Cl)c(F)c2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 4/20 0.49
GSK3B P49841 4/20 0.49
MAPK9 P45984 1/20 0.49
MAPK10 P53779 1/20 0.49
BTK Q06187 1/20 0.48
JAK3 P52333 2/20 0.46
JAK2 O60674 2/20 0.46
LMNA P02545 2/20 0.45
HTT P42858 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
TSHR P16473 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SYK P43405 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
ALDH1A1 P00352 2/20 0.44

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
SCHEMBL20205219 1.00 GSK3A (0.49) GSK3AGSK3BMAPK9MAPK10BTK
SCHEMBL20204994 0.91 GSK3A (0.54) GSK3AGSK3BMAPK9MAPK10BTK
SCHEMBL20205183 0.88 GSK3A (0.53) GSK3AGSK3BMAPK9MAPK10BTK
SCHEMBL20189914 0.86 JAK2 (0.55) GSK3AGSK3BMAPK9MAPK10BTK
SCHEMBL20205173 0.85 MAPK1 (0.52) GSK3AGSK3BMAPK9MAPK10LMNA
SCHEMBL29939117 0.85 MAPK1 (0.52) GSK3AGSK3BMAPK9MAPK10LMNA
SCHEMBL20204972 0.84 TSHR (0.51) GSK3AGSK3BLMNAHTTSMN1; SMN2
SCHEMBL29939856 0.84 TSHR (0.51) GSK3AGSK3BLMNAHTTSMN1; SMN2
SCHEMBL29939082 0.82 GSK3A (0.49) GSK3AGSK3BBTKSYKPIM1
SCHEMBL20190085 0.82 GSK3A (0.49) GSK3AGSK3BBTKSYKPIM1

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
CN-110545817-B GSK-3 inhibitors 百时美施贵宝公司 2022-11-15 CN disclosed