SCHEMBL28614720

SCHEMBL28614720

COC(=O)c1ccc(-c2nc(Nc3cnn(CC(C)(C)C#N)c3)ncc2C)cc1-c1nc(Nc2cnn(CC(C)(C)C#N)c2)ncc1C

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 15/20 0.43
JAK2 O60674 13/20 0.43
JAK1 P23458 12/20 0.43
TYK2 P29597 8/20 0.43
STAT3 P40763 4/20 0.43
BTK Q06187 1/20 0.38
AXL P30530 1/20 0.38

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
SCHEMBL30956503 0.89 JAK1 (0.45) JAK3JAK2JAK1TYK2STAT3
SCHEMBL24852535 0.88 JAK3 (0.47) JAK3JAK2JAK1TYK2STAT3
SCHEMBL24852537 0.82 JAK3 (0.48) JAK3JAK2JAK1TYK2STAT3
SCHEMBL30956481 0.81 JAK3 (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL27447231 0.79 JAK3 (0.51) JAK3JAK2JAK1TYK2
SCHEMBL28919422 0.78 JAK2 (0.44) JAK3JAK2JAK1TYK2
SCHEMBL22097913 0.77 JAK3 (0.49) JAK3JAK2JAK1TYK2STAT3
SCHEMBL28919841 0.76 JAK2 (0.40) JAK3JAK2JAK1TYK2STAT3
SCHEMBL28606148 0.76 IGF1R (0.44) JAK3JAK2JAK1TYK2
SCHEMBL30956393 0.74 JAK2 (0.53) JAK3JAK2JAK1TYK2STAT3

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-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