SCHEMBL18409294

SCHEMBL18409294

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

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.32
JAK2 O60674 2/20 0.31
JAK1 P23458 2/20 0.31
TYK2 P29597 2/20 0.31
JAK3 P52333 2/20 0.31
KMT2A Q03164 4/20 0.30
MEN1 O00255 3/20 0.30
ALDH1A1 P00352 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
PIK3CA P42336 1/20 0.30
PRKDC P78527 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
SCHEMBL18409290 0.90 MEN1 (0.32) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409289 0.86 JAK2 (0.41) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409346 0.85 JAK2 (0.35) TP53JAK2JAK1TYK2JAK3
SCHEMBL18409282 0.82 JAK2 (0.35) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409326 0.81 JAK2 (0.41) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409281 0.81 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409283 0.81 JAK2 (0.34) LMNAJAK2JAK1TYK2JAK3
SCHEMBL18409555 0.80 CCNT1 (0.35) LMNAKMT2AMEN1
SCHEMBL18409354 0.80 MEN1 (0.33) KMT2AMEN1ALDH1A1SLC6A2SLC6A4
SCHEMBL18409264 0.80 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A

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