SCHEMBL30672758

SCHEMBL30672758

C=CC(=O)Nc1cccc(Oc2nc(Nc3ccc(N4CCN(C)CC4)cc3)ncc2OC)c1

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 10/20 0.81
JAK3 P52333 6/20 0.81
JAK2 O60674 3/20 0.81
BLK P51451 2/20 0.81
BMX P51813 2/20 0.81
MAP3K7 O43318 3/20 0.78
MAPK1 P28482 3/20 0.78
MAP2K1 Q02750 3/20 0.78
BTK Q06187 7/20 0.74
CTSC P53634 3/20 0.74
NUAK1 O60285 2/20 0.74
FLT3 P36888 2/20 0.74
PLK4 O00444 1/20 0.74
GAK O14976 1/20 0.74
PTK2 Q05397 1/20 0.74
ITK Q08881 1/20 0.74
ERBB4 Q15303 1/20 0.74
DCLK3 Q9C098 1/20 0.74
NUAK2 Q9H093 1/20 0.74
EML4 Q9HC35 1/20 0.74

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
SCHEMBL16372156 1.00 EGFR (0.81) EGFRJAK3JAK2BLKBMX
SCHEMBL16706318 0.92 EGFR (0.69) EGFRJAK3JAK2BLKBMX
SCHEMBL16371031 0.91 EGFR (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL16370674 0.91 EGFR (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL30672842 0.91 EGFR (0.68) EGFRJAK3JAK2BLKBMX
SCHEMBL30854720 0.90 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL93510 0.90 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL10127821 0.90 EGFR (0.82) EGFRJAK3JAK2BLKBMX
SCHEMBL29351880 0.90 EGFR (1.00) EGFRJAK3JAK2BLKBMX
SCHEMBL16370751 0.89 EGFR (0.65) EGFRJAK3JAK2BLKBMX

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