SCHEMBL28701735

SCHEMBL28701735

O=Cc1cc(-c2nc3cc(-c4cnn(C5CCOC5)c4)ccc3o2)ccn1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 9/20 0.45
▸ GRK5 P34947 8/20 0.44
▸ ALK Q9UM73 1/20 0.42
▸ GRK2 P25098 7/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.39
▸ MKNK2 Q9HBH9 1/20 0.39
▸ LRRK2 Q5S007 4/20 0.39
▸ KCNH2 Q12809 1/20 0.38

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 0.93 GRK5 (0.44) METGRK5ALKGRK2KCNH2
SCHEMBL28714673 0.91 GRK5 (0.49) METGRK5GRK2KCNH2
SCHEMBL28707207 0.81 PIM1 (0.44) METGRK5ALK
SCHEMBL28935891 0.79 HSPD1 (0.38) METGRK5
SCHEMBL31165946 0.78 GRK5 (0.46) METGRK5ALKGRK2MKNK1
SCHEMBL28935935 0.77 PIK3CD (0.40) —
SCHEMBL28701717 0.77 PIK3CD (0.40) METLRRK2
SCHEMBL29479792 0.76 GRK5 (0.51) METGRK5GRK2
SCHEMBL28713867 0.76 GRK5 (0.51) METGRK5GRK2
SCHEMBL28710820 0.74 ACSL1 (0.46) LRRK2

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-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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