SCHEMBL18409290

SCHEMBL18409290

CCc1cc(CN)ncc1N(C)c1cc2c(ncn2C)c(N(Cc2ccc(OC)cc2OC)C(=O)C2CC2)n1

nearest known ligand 0.32

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
JAK2 O60674 2/20 0.32
JAK1 P23458 2/20 0.32
TYK2 P29597 2/20 0.32
JAK3 P52333 2/20 0.32
SLC6A2 P23975 2/20 0.32
SLC6A4 P31645 2/20 0.32
PIK3CA P42336 1/20 0.32
PRKDC P78527 1/20 0.32
POLB P06746 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
PTGDR2 Q9Y5Y4 2/20 0.31
KDM4E B2RXH2 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL18409294 0.90 LMNA (0.33) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409289 0.89 JAK2 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409282 0.89 JAK2 (0.35) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409346 0.88 JAK2 (0.35) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409109 0.85 JAK2 (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409326 0.84 JAK2 (0.41) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409281 0.83 JAK2 (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409354 0.82 MEN1 (0.33) MEN1KMT2ASLC6A2SLC6A4POLB
SCHEMBL18409264 0.82 JAK2 (0.39) MEN1KMT2AJAK2JAK1TYK2
SCHEMBL18409283 0.81 JAK2 (0.34) JAK2JAK1TYK2JAK3SLC6A2

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