SCHEMBL3800518

SCHEMBL3800518

CC(=O)Nc1ccc(O)c(Nc2ncc(C(N)=O)c(Nc3cccc4c3cnn4C)n2)c1

nearest known ligand 0.58

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SYK P43405 16/20 0.58
JAK1 P23458 3/20 0.44
JAK3 P52333 3/20 0.44
JAK2 O60674 1/20 0.44
TYK2 P29597 1/20 0.44

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
SCHEMBL913775 0.90 SYK (0.61) SYKJAK1JAK3JAK2TYK2
SCHEMBL3786482 0.88 SYK (0.61) SYK
SCHEMBL3791847 0.85 SYK (0.63) SYK
SCHEMBL913562 0.79 SYK (0.54) SYKJAK1JAK3JAK2
SCHEMBL912917 0.79 SYK (0.59) SYKJAK1JAK3JAK2TYK2
SCHEMBL12904904 0.78 SYK (0.53) SYKJAK1JAK3JAK2
SCHEMBL912987 0.78 SYK (0.65) SYK
SCHEMBL737072 0.77 SYK (0.71) SYK
SCHEMBL912992 0.77 SYK (0.53) SYKJAK1JAK3
SCHEMBL3790334 0.76 JAK3 (0.60) SYKJAK1JAK3JAK2

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