SCHEMBL6203869

SCHEMBL6203869

COc1ccc(-c2nn3c(NC4CCCC4)cccc3c2-c2ccnc(-c3ccccc3N)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 5/20 0.41
CCNT1 O60563 2/20 0.37
CDK9 P50750 2/20 0.37
EIF2AK2 P19525 1/20 0.37
MAPK10 P53779 2/20 0.37
CDK5 Q00535 1/20 0.35
ALOX5 P09917 1/20 0.35
BTK Q06187 1/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
CSNK2A1 P68400 1/20 0.35
CREBBP Q92793 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
CYP1A2 P05177 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL6183539 0.93 GSK3B (0.41) GSK3BCCNT1CDK9EIF2AK2MAPK10
SCHEMBL6105305 0.86 EIF2AK2 (0.51) GSK3BEIF2AK2MAPK10CDK5
SCHEMBL6106606 0.85 EIF2AK2 (0.50) GSK3BEIF2AK2MAPK10CDK5
SCHEMBL6106995 0.85 EIF2AK2 (0.50) GSK3BEIF2AK2MAPK10CDK5
SCHEMBL6338970 0.83 CDK5 (0.59) GSK3BEIF2AK2CDK5MEN1KMT2A
SCHEMBL6108267 0.82 GSK3B (0.51) GSK3BCCNT1CDK9EIF2AK2MAPK10
SCHEMBL6106260 0.80 GSK3B (0.49) GSK3BEIF2AK2MAPK10CDK5
SCHEMBL6069055 0.79 GSK3B (0.55) GSK3BCDK5MEN1KMT2ANPC1
SCHEMBL6106090 0.78 GSK3B (0.44) GSK3BEIF2AK2MAPK10CDK5
SCHEMBL6184859 0.78 GSK3B (0.53) GSK3BMAPK10CDK5

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
EP-1341788-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2005-08-10 EP claimed