SCHEMBL31165946

SCHEMBL31165946

O=C(O)c1cc(-c2nc3cc(-c4cnn(C5COC5)c4)ccc3o2)ccn1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GRK5 P34947 4/20 0.46
▸ PIM1 P11309 1/20 0.45
▸ PIM2 Q9P1W9 1/20 0.45
▸ MET P08581 14/20 0.43
▸ GRK2 P25098 3/20 0.41
▸ EIF4E P06730 1/20 0.40
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ALK Q9UM73 1/20 0.39

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
SCHEMBL29479792 0.92 GRK5 (0.51) GRK5PIM1PIM2METGRK2
SCHEMBL28713867 0.92 GRK5 (0.51) GRK5PIM1PIM2METGRK2
SCHEMBL23012096 0.87 GRK5 (0.41) GRK5PIM1PIM2METGRK2
SCHEMBL31165961 0.87 GRK5 (0.41) GRK5PIM1PIM2METGRK2
SCHEMBL31704583 0.86 KIT (0.46) PIM1PIM2EIF4EMKNK1MKNK2
SCHEMBL31165937 0.85 GRK5 (0.44) GRK5PIM1PIM2METGRK2
SCHEMBL23033561 0.84 PIM1 (0.55) PIM1PIM2METALK
SCHEMBL29479735 0.82 S1PR1 (0.41) GRK5PIM1PIM2MET
SCHEMBL28710692 0.82 S1PR1 (0.41) GRK5PIM1PIM2MET
SCHEMBL28714669 0.81 PIM1 (0.40) 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 1 patent. 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
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