Sugi Predict

Sugi Predict / Compounds / SCHEMBL2525177

SCHEMBL2525177

SCHEMBL2525177

CC(C)(C)OC(=O)CC(N)N1CCN(c2ccc(Nc3cc(NCc4cc(F)cc(F)c4)c(C(N)=O)cn3)cc2)CC1

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ STAT6 P42226 10/20 0.49
▸ JAK3 P52333 8/20 0.44
▸ IRAK4 Q9NWZ3 4/20 0.44
▸ JAK2 O60674 2/20 0.44
▸ JAK1 P23458 2/20 0.44
▸ TYK2 P29597 2/20 0.44
▸ SYK P43405 2/20 0.40
▸ CSF1R P07333 1/20 0.38
▸ BTK Q06187 1/20 0.38

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
SCHEMBL2531120 0.93 STAT6 (0.48) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2525175 0.85 STAT6 (0.49) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2476949 0.85 STAT6 (0.56) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2531118 0.84 STAT6 (0.48) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2475291 0.83 STAT6 (0.49) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2477813 0.83 STAT6 (0.53) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2479483 0.81 STAT6 (0.48) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL2480558 0.81 STAT6 (0.59) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301690 0.81 STAT6 (0.60) STAT6JAK3IRAK4JAK2JAK1
SCHEMBL12301519 0.81 STAT6 (0.55) STAT6JAK3IRAK4JAK2JAK1

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
EP-2380877-A1 PYRIDINE-3-CARBOXYAMIDE DERIVATIVE Kowa Company, Ltd. (JP) 2011-10-26 — — EP disclosed