SCHEMBL18409277

SCHEMBL18409277

CCCc1ccc(CN(C(=O)C2CC2)c2nc(Nc3cc(F)c(C#N)cc3CC)cc3c2ncn3C)c(OC)c1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.37
JAK1 P23458 4/20 0.37
TYK2 P29597 4/20 0.37
JAK3 P52333 4/20 0.37
NR1H4 Q96RI1 1/20 0.37
LRRK2 Q5S007 4/20 0.33
S1PR1 P21453 2/20 0.32
CHEK1 O14757 2/20 0.32
CHRM4 P08173 1/20 0.31
S1PR5 Q9H228 1/20 0.31
CSF1R P07333 1/20 0.30
KIT P10721 1/20 0.30
PTK2 Q05397 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
SCHEMBL18409291 0.81 JAK2 (0.37) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18409113 0.81 ALDH1A1 (0.36)
SCHEMBL18409258 0.81 S1PR1 (0.38) NR1H4S1PR1S1PR5
SCHEMBL18409164 0.80 JAK2 (0.42) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18409281 0.80 JAK2 (0.39) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18409102 0.79 LMNA (0.33) JAK2JAK1TYK2JAK3
SCHEMBL18409110 0.77 POLB (0.33) JAK2JAK1TYK2JAK3
SCHEMBL18409321 0.77 JAK2 (0.38) JAK2JAK1TYK2JAK3NR1H4
SCHEMBL18409541 0.76 PIK3CA (0.35) JAK2JAK1TYK2JAK3PTK2
SCHEMBL18409180 0.76 TYK2 (0.35) JAK2JAK1TYK2JAK3NR1H4

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