SCHEMBL30319862

SCHEMBL30319862

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GSK3A P49840 13/20 0.74
GSK3B P49841 13/20 0.74
CDK5 Q00535 11/20 0.67
CDK5R1 Q15078 11/20 0.67
CDK1 P06493 7/20 0.67
CCNB2 O95067 6/20 0.67
CCNB1 P14635 6/20 0.67
CCNB3 Q8WWL7 6/20 0.67
CDK2 P24941 3/20 0.67
CCNE1 P24864 2/20 0.67
CDK4 P11802 2/20 0.67
CCNA2 P20248 2/20 0.67
CCND1 P24385 2/20 0.67
MEN1 O00255 1/20 0.67
CDK14 O94921 1/20 0.67
MAPT P10636 1/20 0.67
SRC P12931 1/20 0.67
CTRB1 P17538 1/20 0.67
CDK11B P21127 1/20 0.67
MAPK1 P28482 1/20 0.67

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
SCHEMBL30319805 0.86 GSK3A (0.76) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30319763 0.85 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30319777 0.85 GSK3A (0.74) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL29421607 0.80 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30597674 0.77 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30319773 0.73 CDK2 (0.51) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30380971 0.72 GSK3A (0.70) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30597679 0.72 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL30273058 0.72 GSK3A (1.00) GSK3AGSK3BCDK5CDK5R1CDK1
SCHEMBL23064865 0.69 CDK2 (1.00) GSK3AGSK3BCDK5CDK5R1CDK1

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