SCHEMBL29631682

SCHEMBL29631682

Nc1ccc(-c2cc(-c3cnn(C4CCOCC4)c3)cnc2N)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 10/20 0.64
▸ GRK5 P34947 5/20 0.54
▸ GRK2 P25098 4/20 0.54
▸ FLT3 P36888 1/20 0.54
▸ JAK2 O60674 4/20 0.52
▸ JAK1 P23458 1/20 0.52
▸ JAK3 P52333 1/20 0.52
▸ KCNH2 Q12809 2/20 0.50
▸ AXL P30530 3/20 0.48
▸ MERTK Q12866 2/20 0.48
▸ MAP3K7 O43318 1/20 0.47
▸ TAB1 Q15750 1/20 0.47

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
SCHEMBL28346361 1.00 MET (0.64) METGRK5GRK2FLT3JAK2
SCHEMBL28343405 0.86 MET (0.59) METGRK5GRK2FLT3JAK2
SCHEMBL21776583 0.86 MET (0.59) METGRK5GRK2FLT3JAK2
SCHEMBL28343404 0.86 MET (0.59) METGRK5GRK2FLT3JAK2
SCHEMBL29631656 0.86 MET (0.59) METGRK5GRK2FLT3JAK2
SCHEMBL29631680 0.86 MET (0.59) METGRK5GRK2FLT3JAK2
SCHEMBL16758516 0.81 MET (0.58) METGRK5GRK2FLT3JAK2
SCHEMBL16758552 0.81 MET (0.66) METGRK5GRK2FLT3JAK2
SCHEMBL18861159 0.81 MET (0.57) METGRK5GRK2JAK2JAK1
SCHEMBL29964366 0.81 JAK2 (0.61) METJAK2JAK1JAK3

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-110520416-B Polysubstituted pyridone derivative, preparation method and medical application thereof 北京越之康泰生物医药科技有限公司 2022-06-03 — — CN disclosed
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