SCHEMBL18409264

SCHEMBL18409264

CCc1cc(C#N)ncc1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2OC)C(=O)C2CC(F)(F)C2)n1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.39
JAK1 P23458 5/20 0.39
TYK2 P29597 5/20 0.39
JAK3 P52333 5/20 0.39
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
GPR6 P46095 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30

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
SCHEMBL18409289 0.93 JAK2 (0.41) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409344 0.87 JAK2 (0.47) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409260 0.87 JAK2 (0.36) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409281 0.83 JAK2 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409259 0.83 MEN1 (0.40) MEN1KMT2APOLBGAASLC6A2
SCHEMBL18409290 0.82 MEN1 (0.32) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409346 0.82 JAK2 (0.35) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409566 0.81 JAK2 (0.43) JAK2JAK1TYK2JAK3
SCHEMBL18409107 0.81 JAK2 (0.53) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409291 0.80 JAK2 (0.37) JAK2JAK1TYK2JAK3MEN1

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-2017012647-A1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF INFLAMMATORY DISORDERS GALAPAGOS NV (BE) 2017-01-26 WO disclosed