SCHEMBL29479792

SCHEMBL29479792

O=C(O)c1cc(-c2nc3cc(-c4cnn(C5CC5)c4)ccc3o2)ccn1

nearest known ligand 0.51

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 6/20 0.51
▸ PIM1 P11309 1/20 0.51
▸ PIM2 Q9P1W9 1/20 0.51
▸ MET P08581 16/20 0.47
▸ GRK2 P25098 5/20 0.46

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
SCHEMBL28713867 1.00 GRK5 (0.51) GRK5PIM1PIM2METGRK2
SCHEMBL31165946 0.92 GRK5 (0.46) GRK5PIM1PIM2METGRK2
SCHEMBL29479765 0.86 GRK5 (0.45) GRK5PIM1PIM2METGRK2
SCHEMBL23012163 0.86 GRK5 (0.45) GRK5PIM1PIM2METGRK2
SCHEMBL23033561 0.86 PIM1 (0.55) PIM1PIM2MET
SCHEMBL28714673 0.84 GRK5 (0.49) GRK5PIM1PIM2METGRK2
SCHEMBL29479735 0.83 S1PR1 (0.41) GRK5PIM1PIM2MET
SCHEMBL28710692 0.83 S1PR1 (0.41) GRK5PIM1PIM2MET
SCHEMBL28714669 0.82 PIM1 (0.40) PIM1PIM2
SCHEMBL28714630 0.81 KDM4E (0.44) PIM1PIM2

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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