SCHEMBL3715696

SCHEMBL3715696

CC(Nc1cc(Nc2cccc(NC(=O)N3CCCC3)c2)ncc1C(N)=O)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 6/20 0.44
IRAK4 Q9NWZ3 4/20 0.44
TYK2 P29597 5/20 0.41
JAK2 O60674 3/20 0.41
JAK1 P23458 3/20 0.41
CSF1R P07333 2/20 0.41
BTK Q06187 1/20 0.41
ALDH1A1 P00352 2/20 0.40
RAB9A P51151 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
AURKA O14965 2/20 0.39
RPS6KB1 P23443 2/20 0.39
AURKB Q96GD4 1/20 0.39
ULK1 O75385 1/20 0.39
PDK1 Q15118 1/20 0.39
ULK2 Q8IYT8 1/20 0.39
HTT P42858 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
SCHEMBL913565 0.89 JAK3 (0.53) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913567 0.89 JAK3 (0.53) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913648 0.82 JAK3 (0.50) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL915211 0.81 IRAK4 (0.72) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL915210 0.81 IRAK4 (0.72) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL913797 0.80 JAK3 (0.49) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL3712540 0.80 JAK3 (0.48) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914146 0.79 JAK3 (0.69) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL12904687 0.78 IRAK4 (0.48) JAK3IRAK4TYK2JAK2JAK1
SCHEMBL914045 0.75 JAK3 (0.55) JAK3IRAK4TYK2JAK2JAK1

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-2010129802-A1 INHIBITORS OF JAK PORTOLA PHARMACEUTICALS, INC. (US) 2010-11-11 WO disclosed