SCHEMBL3720780

SCHEMBL3720780

NC(=O)c1cnc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)cc1NCCc1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 14/20 0.43
IRAK4 Q9NWZ3 8/20 0.43
JAK2 O60674 5/20 0.43
JAK1 P23458 5/20 0.43
TYK2 P29597 3/20 0.43
CSF1R P07333 1/20 0.39
BTK Q06187 1/20 0.39
STAT6 P42226 2/20 0.36
STAT3 P40763 1/20 0.36
ULK1 O75385 1/20 0.35
PDK1 Q15118 1/20 0.35
ULK2 Q8IYT8 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL3715747 0.98 JAK3 (0.43) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL3712540 0.89 JAK3 (0.48) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL3715479 0.82 JAK3 (0.46) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL912904 0.82 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914114 0.81 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL3720779 0.80 JAK2 (0.39) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913843 0.80 JAK3 (0.52) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL914828 0.79 JAK3 (0.51) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913948 0.79 IRAK4 (0.65) JAK3IRAK4JAK2JAK1TYK2
SCHEMBL913949 0.79 IRAK4 (0.65) JAK3IRAK4JAK2JAK1TYK2

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