SCHEMBL3723341

SCHEMBL3723341

COCC(=O)N(c1cccc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)c1)C1CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.53
JAK2 O60674 2/20 0.53
JAK1 P23458 2/20 0.53
STAT6 P42226 12/20 0.49
MAPK8 P45983 1/20 0.46
MAPK9 P45984 1/20 0.46

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
SCHEMBL913615 0.93 STAT6 (0.55) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL3721789 0.90 JAK3 (0.56) JAK3JAK2JAK1STAT6
SCHEMBL3712394 0.88 JAK3 (0.56) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL912889 0.85 SYK (0.50) MAPK8MAPK9
SCHEMBL912890 0.85 SYK (0.50) MAPK8MAPK9
SCHEMBL3723340 0.82 MAPK8 (0.42) JAK3JAK2JAK1MAPK8MAPK9
SCHEMBL3720754 0.81 JAK3 (0.59) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL913540 0.81 STAT6 (0.57) JAK3JAK2JAK1STAT6
SCHEMBL913796 0.81 JAK3 (0.57) JAK3JAK2JAK1STAT6MAPK8
SCHEMBL3721804 0.81 JAK3 (0.60) JAK3JAK2JAK1STAT6

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 2 patents. claimed = in the patent's claims; disclosed = body only.

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