SCHEMBL3715522

SCHEMBL3715522

COCC(=O)Nc1cc(Nc2ncc(C(N)=O)c(NCCc3ccccc3)n2)ccc1Cl

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
JAK3 P52333 7/20 0.55
JAK2 O60674 2/20 0.55
JAK1 P23458 2/20 0.55
STAT6 P42226 9/20 0.54
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
MAPK9 P45984 2/20 0.49
MAPK8 P45983 1/20 0.49
MAPK10 P53779 1/20 0.47
SYK P43405 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
SCHEMBL913417 0.93 STAT6 (0.58) JAK3JAK2JAK1STAT6MAPK9
SCHEMBL3714501 0.91 JAK3 (0.58) JAK3JAK2JAK1STAT6MAPK9
SCHEMBL3712344 0.89 JAK3 (0.59) JAK3JAK2JAK1STAT6SYK
SCHEMBL3711925 0.88 JAK3 (0.58) JAK3JAK2JAK1STAT6SYK
SCHEMBL3720754 0.88 JAK3 (0.59) JAK3JAK2JAK1STAT6MAPK9
SCHEMBL3713183 0.85 JAK3 (0.54) JAK3JAK2JAK1STAT6
SCHEMBL913574 0.84 STAT6 (0.60) JAK3JAK2JAK1STAT6MAPK9
SCHEMBL913778 0.84 SYK (0.53) JAK3JAK2JAK1MAPK9MAPK8
SCHEMBL913777 0.84 SYK (0.53) JAK3JAK2JAK1MAPK9MAPK8
SCHEMBL3718768 0.83 JAK3 (0.55) JAK3JAK2JAK1STAT6SYK

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