SCHEMBL30319789

SCHEMBL30319789

Cn1c(O)c(C2=Nc3ccccc3C2=O)c2cccc(F)c21

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GSK3A P49840 10/20 0.58
▸ GSK3B P49841 10/20 0.58
▸ CDK2 P24941 4/20 0.51
▸ CCNA2 P20248 3/20 0.51
▸ CDK5 Q00535 9/20 0.48
▸ CDK5R1 Q15078 9/20 0.48
▸ CCNB2 O95067 7/20 0.48
▸ CDK1 P06493 7/20 0.48
▸ CCNB1 P14635 7/20 0.48
▸ CCNB3 Q8WWL7 7/20 0.48
▸ AHR P35869 5/20 0.48
▸ MEN1 O00255 3/20 0.48
▸ MAPT P10636 3/20 0.48
▸ KMT2A Q03164 3/20 0.48
▸ SRC P12931 2/20 0.48
▸ CTRB1 P17538 2/20 0.48
▸ CCNE1 P24864 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ RAB9A P51151 2/20 0.48
▸ SMN1; SMN2 Q16637 2/20 0.48

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
SCHEMBL30319810 0.87 AHR (0.59) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL30319817 0.86 CDK5 (0.52) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL30319773 0.86 CDK2 (0.51) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL30319763 0.73 GSK3A (1.00) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL28433638 0.70 GSK3A (0.54) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL30921007 0.69 ALDH1A1 (0.52) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL21316073 0.66 MEN1 (0.63) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL29421607 0.65 GSK3A (1.00) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL28425832 0.64 ALDH1A1 (0.54) GSK3AGSK3BCDK2CCNA2CDK5
SCHEMBL28426927 0.64 CDK2 (0.53) GSK3AGSK3BCDK2CCNA2CDK5

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
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