SCHEMBL30319805

SCHEMBL30319805

O=C1C(c2c(O)[nH]c3c(Br)cccc23)=Nc2ccccc21

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 15/20 0.76
GSK3B P49841 15/20 0.76
DYRK2 Q92630 1/20 0.70
CDK5 Q00535 9/20 0.68
CDK5R1 Q15078 9/20 0.68
CCNB2 O95067 4/20 0.68
CDK1 P06493 4/20 0.68
CCNB1 P14635 4/20 0.68
CCNB3 Q8WWL7 4/20 0.68
CCNE1 P24864 2/20 0.68
CDK2 P24941 2/20 0.68
AHR P35869 2/20 0.68
MEN1 O00255 1/20 0.68
CDK14 O94921 1/20 0.68
MAPT P10636 1/20 0.68
CDK4 P11802 1/20 0.68
SRC P12931 1/20 0.68
CTRB1 P17538 1/20 0.68
CCNA2 P20248 1/20 0.68
CDK11B P21127 1/20 0.68

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
SCHEMBL30319763 0.86 GSK3A (1.00) GSK3AGSK3BDYRK2CDK5CDK5R1
SCHEMBL30319777 0.86 GSK3A (0.74) GSK3AGSK3BDYRK2CDK5CDK5R1
SCHEMBL30319862 0.86 GSK3A (0.74) GSK3AGSK3BDYRK2CDK5CDK5R1
SCHEMBL29421607 0.81 GSK3A (1.00) GSK3AGSK3BDYRK2CDK5CDK5R1
SCHEMBL31060440 0.79 AURKC (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL30319807 0.78 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL30273058 0.78 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL30597665 0.77 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL30380971 0.73 GSK3A (0.70) GSK3AGSK3BCDK5CDK5R1CCNB2
SCHEMBL30597679 0.72 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CCNB2

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-115969814-A Novel pharmaceutical formulations containing indirubin and derivatives thereof and methods of making and using the same 法斯瑞斯公司 2023-04-18 CN disclosed