SCHEMBL30672836

SCHEMBL30672836

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc4c(c3)CC(=O)N4CCOC)ncc2OC)c1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BTK Q06187 3/20 0.62
JAK3 P52333 3/20 0.62
ITK Q08881 8/20 0.54
EGFR P00533 14/20 0.54
MAPK3 P27361 1/20 0.53
JAK2 O60674 2/20 0.52
BLK P51451 2/20 0.52
BMX P51813 2/20 0.52
PLK4 O00444 1/20 0.52
GAK O14976 1/20 0.52
NUAK1 O60285 1/20 0.52
FLT3 P36888 1/20 0.52
CTSC P53634 1/20 0.52
PTK2 Q05397 1/20 0.52
ERBB4 Q15303 1/20 0.52
DCLK3 Q9C098 1/20 0.52
NUAK2 Q9H093 1/20 0.52
EML4 Q9HC35 1/20 0.52
EIF2AK4 Q9P2K8 1/20 0.52
ALK Q9UM73 1/20 0.52

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
SCHEMBL16391117 1.00 BTK (0.62) BTKJAK3ITKEGFRMAPK3
SCHEMBL16706353 0.94 BTK (0.63) BTKJAK3ITKEGFRMAPK3
SCHEMBL16391110 0.87 JAK3 (0.63) BTKJAK3ITKEGFRJAK2
SCHEMBL30672898 0.86 BTK (0.65) BTKJAK3ITKEGFRJAK2
SCHEMBL16370912 0.86 BTK (0.65) BTKJAK3ITKEGFRJAK2
SCHEMBL16706326 0.82 JAK3 (0.64) BTKJAK3ITKEGFRJAK2
SCHEMBL16371034 0.81 BTK (0.59) BTKJAK3ITKEGFR
SCHEMBL30672759 0.81 BTK (0.59) BTKJAK3ITKEGFR
SCHEMBL16391124 0.81 BTK (0.65) BTKJAK3ITKEGFRJAK2
SCHEMBL16371031 0.81 EGFR (0.68) BTKJAK3ITKEGFRJAK2

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-117486865-A Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2024-02-02 CN disclosed
CN-112592334-B Pyrimidine derivatives as kinase inhibitors 艾森医药公司 2023-10-27 CN disclosed