SCHEMBL1633852

SCHEMBL1633852

O=S(=O)(c1ccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)cc1)C1CNCCO1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 4/20 0.56
JAK1 P23458 4/20 0.56
TYK2 P29597 4/20 0.56
JAK3 P52333 4/20 0.56
TNIK Q9UKE5 1/20 0.50
FLT3 P36888 1/20 0.39
ALK Q9UM73 1/20 0.37

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
SCHEMBL1633545 0.83 JAK2 (0.65) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632785 0.81 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634422 0.81 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632781 0.81 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632625 0.81 JAK2 (0.62) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633848 0.80 JAK2 (0.60) JAK2JAK1TYK2JAK3TNIK
SCHEMBL12724448 0.80 JAK2 (0.71) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1635098 0.79 JAK2 (0.74) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633016 0.79 JAK2 (0.62) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633224 0.77 JAK2 (0.65) JAK2JAK1TYK2JAK3TNIK

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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed