SCHEMBL18409346

SCHEMBL18409346

CCc1cc(F)ccc1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2OC)C(=O)C2CC2)n1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
TSPO P30536 3/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
TPH1 P17752 1/20 0.33
POLB P06746 2/20 0.33
ALDH1A1 P00352 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
TP53 P04637 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32

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
SCHEMBL18409326 0.91 JAK2 (0.41) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409282 0.90 JAK2 (0.35) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409281 0.89 JAK2 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409290 0.88 MEN1 (0.32) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409289 0.88 JAK2 (0.41) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409354 0.87 MEN1 (0.33) MEN1KMT2ASLC6A2SLC6A4POLB
SCHEMBL18409109 0.86 JAK2 (0.39) JAK2JAK1TYK2JAK3MEN1
SCHEMBL18409283 0.86 JAK2 (0.34) JAK2JAK1TYK2JAK3SLC6A2
SCHEMBL18409113 0.86 ALDH1A1 (0.36) TSPOMEN1KMT2ATPH1POLB
SCHEMBL18409107 0.86 JAK2 (0.53) 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