SCHEMBL16802254

SCHEMBL16802254

C=CC(=C)N1CCC[C@@H](Nc2ncnc3[nH]cc(C)c23)C1

nearest known ligand 0.81

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 20/20 0.81

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
SCHEMBL16764589 0.90 JAK3 (1.00) JAK3
SCHEMBL16764591 0.90 JAK3 (1.00) JAK3
SCHEMBL23221815 0.83 JAK3 (0.84) JAK3
SCHEMBL16802029 0.82 JAK3 (0.69) JAK3
SCHEMBL19595492 0.82 JAK3 (0.75) JAK3
SCHEMBL23221728 0.79 JAK3 (0.70) JAK3
SCHEMBL16764961 0.78 JAK3 (1.00) JAK3
SCHEMBL16764962 0.78 JAK3 (1.00) JAK3
SCHEMBL16764802 0.78 JAK3 (1.00) JAK3
SCHEMBL16764800 0.78 JAK3 (1.00) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015083028-A1 PYRROLO[2,3-D]PYRIMIDINYL, PYRROLO[2,3-B]PYRAZINYL AND PYRROLO[2,3-D]PYRIDINYL ACRYLAMIDES PFIZER INC. (US) 2015-06-11 WO disclosed