SCHEMBL3720779

SCHEMBL3720779

CCN(c1ccccc1O)c1cc(Nc2ccc(F)c(NC(=O)N3CCCC3)c2)ncc1C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 7/20 0.39
JAK1 P23458 7/20 0.39
JAK3 P52333 7/20 0.36
IRAK4 Q9NWZ3 5/20 0.36
TYK2 P29597 3/20 0.36
MAPT P10636 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
CYP3A4 P08684 1/20 0.34
DGAT1 O75907 1/20 0.34

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
SCHEMBL3715478 0.81 AURKA (0.44) JAK3MAPT
SCHEMBL3720780 0.80 JAK3 (0.43) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL914111 0.79 ABL1 (0.41) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL3715747 0.79 JAK3 (0.43) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL914824 0.78 ABL1 (0.39) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL12904687 0.77 IRAK4 (0.48) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL3712327 0.77 JAK3 (0.46) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL913949 0.76 IRAK4 (0.65) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL913948 0.76 IRAK4 (0.65) JAK2JAK1JAK3IRAK4TYK2
SCHEMBL2713982 0.76 FAAH (0.41)

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