SCHEMBL28714673

SCHEMBL28714673

O=Cc1cc(-c2nc3cc(-c4cnn(C5CC5)c4)ccc3o2)ccn1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 9/20 0.49
▸ MET P08581 12/20 0.46
▸ GRK2 P25098 8/20 0.46
▸ KCNH2 Q12809 2/20 0.42
▸ PIM1 P11309 1/20 0.42
▸ PIM2 Q9P1W9 1/20 0.42
▸ PIK3CD O00329 1/20 0.41
▸ PIK3CA P42336 1/20 0.41
▸ PIK3CB P42338 1/20 0.41
▸ PI4KA P42356 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PI4KB Q9UBF8 1/20 0.41

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
SCHEMBL31165937 0.92 GRK5 (0.44) GRK5METGRK2KCNH2PIM1
SCHEMBL28701735 0.91 MET (0.45) GRK5METGRK2KCNH2
SCHEMBL28707207 0.86 PIM1 (0.44) GRK5METPIM1PIM2PIK3CD
SCHEMBL28713867 0.84 GRK5 (0.51) GRK5METGRK2PIM1PIM2
SCHEMBL29479792 0.84 GRK5 (0.51) GRK5METGRK2PIM1PIM2
SCHEMBL28935891 0.83 HSPD1 (0.38) GRK5METPIK3CAPIK3CB
SCHEMBL28701717 0.81 PIK3CD (0.40) METPIK3CDPIK3CAPIK3CBPI4KA
SCHEMBL28935935 0.81 PIK3CD (0.40) PIK3CDPIK3CAPI4KAPIK3CGPI4KB
SCHEMBL23012163 0.79 GRK5 (0.45) GRK5METGRK2PIM1PIM2
SCHEMBL29479765 0.79 GRK5 (0.45) GRK5METGRK2PIM1PIM2

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
CN-114269725-B Anti-influenza virus compound, preparation method and application thereof 西藏海思科制药有限公司 2024-09-17 — — CN disclosed
CN-114269725-A Anti-influenza virus compound and preparation method and application thereof 四川海思科制药有限公司 2022-04-01 — — CN disclosed
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