SCHEMBL28111575

SCHEMBL28111575

C=CC(=O)OC(C)(C)C.N#CCCc1c[nH]c2ncnc(N[C@@H]3CCCN(C(=O)O)C3)c12

nearest known ligand 0.75

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.75

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
SCHEMBL16765459 0.89 JAK3 (0.82) JAK3
SCHEMBL16765010 0.88 JAK3 (0.73) JAK3
SCHEMBL16765009 0.88 JAK3 (0.73) JAK3
SCHEMBL16765153 0.86 JAK3 (1.00) JAK3
SCHEMBL20125403 0.86 JAK3 (1.00) JAK3
SCHEMBL28111558 0.80 JAK3 (0.66) JAK3
SCHEMBL16764862 0.79 JAK3 (1.00) JAK3
SCHEMBL16764861 0.79 JAK3 (1.00) JAK3
SCHEMBL16764910 0.79 JAK3 (0.83) JAK3
SCHEMBL16764911 0.79 JAK3 (0.83) JAK3

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-106061973-B Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2019-07-09 CN disclosed
CN-106061973-A Pyrrolo [2,3-D ] pyrimidinyl, pyrrolo [2,3-B ] pyrazinyl and pyrrolo [2,3-D ] pyridylacrylamide 辉瑞公司 2016-10-26 CN disclosed