SCHEMBL3790334

SCHEMBL3790334

CC(=O)Nc1ccc(O)c(Nc2ncc(C(N)=O)c(NCc3cnn(C)c3)n2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 16/20 0.60
JAK2 O60674 8/20 0.52
JAK1 P23458 6/20 0.52
STAT6 P42226 3/20 0.49
SYK P43405 1/20 0.47

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
SCHEMBL912912 0.87 JAK3 (0.67) JAK3JAK2JAK1STAT6
SCHEMBL3793017 0.82 SYK (0.49) STAT6SYK
SCHEMBL22261209 0.81 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL3792397 0.80 MAPK8 (0.49) STAT6SYK
SCHEMBL913067 0.77 STAT6 (0.59) JAK3JAK2JAK1STAT6SYK
SCHEMBL3800518 0.76 SYK (0.58) JAK3JAK2JAK1SYK
SCHEMBL3786482 0.76 SYK (0.61) SYK
SCHEMBL22261282 0.76 JAK3 (0.79) JAK3JAK2JAK1
SCHEMBL22261046 0.75 JAK3 (0.81) JAK3JAK2JAK1
SCHEMBL3793275 0.75 SYK (0.59) SYK

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