SCHEMBL18409289

SCHEMBL18409289

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

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.41
JAK1 P23458 5/20 0.41
TYK2 P29597 5/20 0.41
JAK3 P52333 5/20 0.41
KMT2A Q03164 4/20 0.32
MEN1 O00255 3/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
POLB P06746 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
GAA P10253 2/20 0.31
SMN1; SMN2 Q16637 2/20 0.31
NR1H4 Q96RI1 1/20 0.31
PTGDR2 Q9Y5Y4 1/20 0.31
NOS2 P35228 1/20 0.31
GPR6 P46095 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
SCHEMBL18409264 0.93 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409290 0.89 MEN1 (0.32) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409281 0.89 JAK2 (0.39) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409346 0.88 JAK2 (0.35) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409291 0.86 JAK2 (0.37) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409294 0.86 LMNA (0.33) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409107 0.86 JAK2 (0.53) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409282 0.85 JAK2 (0.35) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409326 0.84 JAK2 (0.41) JAK2JAK1TYK2JAK3KMT2A
SCHEMBL18409542 0.84 JAK2 (0.36) 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