SCHEMBL25703953

SCHEMBL25703953

C[C@@H]1CCCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12

nearest known ligand 0.91

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 19/20 0.91
JAK2 O60674 11/20 0.91
JAK1 P23458 11/20 0.91
TYK2 P29597 6/20 0.91
PKN2 Q16513 4/20 0.91
ROCK2 O75116 3/20 0.91
PRKCD Q05655 3/20 0.91
STK3 Q13188 3/20 0.91
ROCK1 Q13464 3/20 0.91
CAMK2D Q13557 3/20 0.91
LRRK2 Q5S007 3/20 0.91
MARK3 P27448 2/20 0.91
MARK2 Q7KZI7 2/20 0.91
DCLK1 O15075 2/20 0.91
ABL1 P00519 2/20 0.91
LCK P06239 2/20 0.91
FYN P06241 2/20 0.91
RET P07949 2/20 0.91
DMPK Q09013 2/20 0.91
MAP4K2 Q12851 2/20 0.91

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
Tofacitinib SCHEMBL29816283 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL11949309 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL30925309 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL23058868 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL29351183 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL23199919 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL322753 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL28416782 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tasocitinib SCHEMBL30341861 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2
Tofacitinib SCHEMBL1120705 0.95 JAK3 (1.00) JAK3JAK2JAK1TYK2PKN2

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
EP-4180042-A1 A FILM COATED TABLET COMPRISING MICRONIZED TOFACITINIB SANOVEL ILAC SANAYI VE TICARET A.S. (TR) 2023-05-17 EP disclosed