SCHEMBL20524909

SCHEMBL20524909

N#Cc1ccc2[nH]c3c(c2c1)CCNc1ccccc1-3

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3B P49841 14/20 0.65
CDK5 Q00535 13/20 0.65
CDK5R1 Q15078 13/20 0.65
CCNB2 O95067 13/20 0.65
CDK1 P06493 13/20 0.65
CCNB1 P14635 13/20 0.65
CCNB3 Q8WWL7 13/20 0.65
CCNA2 P20248 3/20 0.65
CDK2 P24941 3/20 0.65
CCNA1 P78396 3/20 0.65
GSK3A P49840 4/20 0.52
MAPK10 P53779 1/20 0.50
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
CYP1A2 P05177 2/20 0.43
HTT P42858 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL29908708 0.82 MEN1 (0.61) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL272876 0.82 MEN1 (0.61) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL20524901 0.82 CDK5 (0.62) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL4552964 0.82 CDK1 (0.62) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL15264418 0.80 GSK3B (0.69) GSK3BCDK5CDK5R1CCNB2CDK1
Paullone 2 SCHEMBL5688525 0.79 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
Paullone 2 SCHEMBL30319785 0.79 GSK3B (1.00) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL2360505 0.70 KDM4E (0.63) GSK3BCDK5CDK5R1CCNB2CDK1
SCHEMBL6237963 0.69 KDM4E (0.63) GSK3BCDK5CDK2KDM4EMEN1
SCHEMBL1247669 0.69 CHUK (0.63) GSK3BCDK5CDK5R1CCNB2CDK1

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-3600259-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME Phosphorex, Inc. (US) 2020-02-05 EP disclosed
WO-2018183631-A1 NOVEL PHARMACEUTICAL FORMULATIONS CONTAINING INDIRUBIN AND DERIVATIVES THEREOF AND METHODS OF MAKING AND USING THE SAME PHOSPHOREX, INC. (US) 2018-10-04 WO disclosed