SCHEMBL28608337

SCHEMBL28608337

CCC(C#N)NC(=O)c1ccc(-c2nc(Nc3cnn(C4CCOCC4)c3)ncc2C)cc1

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.54
JAK2 O60674 14/20 0.54
JAK1 P23458 13/20 0.54
TYK2 P29597 2/20 0.48
TBK1 Q9UHD2 1/20 0.45
DDR2 Q16832 2/20 0.45

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
SCHEMBL29941580 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL22089930 1.00 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL29942144 0.95 JAK3 (0.49) JAK3JAK2JAK1TYK2DDR2
SCHEMBL22089666 0.95 JAK3 (0.49) JAK3JAK2JAK1TYK2DDR2
SCHEMBL28611306 0.95 JAK3 (0.49) JAK3JAK2JAK1TYK2DDR2
SCHEMBL22089918 0.92 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL27171235 0.92 JAK3 (0.54) JAK3JAK2JAK1TYK2TBK1
SCHEMBL22097858 0.92 JAK2 (0.47) JAK3JAK2JAK1TBK1DDR2
SCHEMBL29248984 0.92 JAK2 (0.47) JAK3JAK2JAK1TBK1DDR2
SCHEMBL29941867 0.92 JAK2 (0.47) JAK3JAK2JAK1TBK1DDR2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN claimed
CN-118290403-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl and compositions and methods thereof 凌科药业(杭州)有限公司 2024-07-05 CN disclosed
CN-113227074-A Benzamide derivatives of pyrazolyl-amino-pyrimidinyl derivatives, compositions and methods 凌科药业(杭州)有限公司 2021-08-06 CN disclosed