SCHEMBL28850995

SCHEMBL28850995

COC(Cc1c(N)ncnc1-c1cnn(C2CCC(C=CC#N)C2)c1)OC

nearest known ligand 0.34

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 8/20 0.34
JAK3 P52333 8/20 0.34
JAK1 P23458 2/20 0.34
RET P07949 1/20 0.34
KDM5A P29375 1/20 0.31

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
SCHEMBL29950563 0.73 JAK3 (0.33) JAK2JAK3JAK1RET
SCHEMBL28850992 0.72 JAK3 (0.33) JAK2JAK3JAK1RET
SCHEMBL22325300 0.72 JAK3 (0.33) JAK2JAK3JAK1RET
SCHEMBL29950366 0.72 JAK3 (0.33) JAK2JAK3JAK1RET
SCHEMBL22325258 0.72 JAK2 (0.58) JAK2JAK3JAK1RET
SCHEMBL22325257 0.72 JAK2 (0.58) JAK2JAK3JAK1RET
SCHEMBL22343519 0.70 JAK3 (0.41) JAK2JAK3JAK1
Phosphoric Acid SCHEMBL28725937 0.69 JAK2 (0.55) JAK2JAK3JAK1RET
SCHEMBL24599487 0.68
SCHEMBL24599456 0.67 JAK2 (0.40) JAK2JAK3JAK1RET

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-115141180-B Preparation method of ruxotinib intermediate 济宁学院 2023-06-20 CN disclosed
CN-115141180-A Preparation method of ruxotinib intermediate 济宁学院 2022-10-04 CN disclosed