SCHEMBL1632074

SCHEMBL1632074

O=S(=O)(NC1CC1)c1cccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.60
JAK1 P23458 5/20 0.60
TYK2 P29597 5/20 0.60
JAK3 P52333 5/20 0.60
TNIK Q9UKE5 1/20 0.51
BRD4 O60885 5/20 0.46
SYK P43405 2/20 0.43
BMPR2 Q13873 1/20 0.43
NUAK1 O60285 1/20 0.42
ALK Q9UM73 1/20 0.40
IKBKB O14920 1/20 0.40
CHUK O15111 1/20 0.40
FLT3 P36888 1/20 0.39
CHEK1 O14757 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
SCHEMBL1632625 0.91 JAK2 (0.62) JAK2JAK1TYK2JAK3TNIK
SCHEMBL13498292 0.88 JAK3 (0.63) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633307 0.88 JAK2 (0.61) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633012 0.85 JAK2 (0.57) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1631338 0.83 JAK2 (0.57) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1635098 0.82 JAK2 (0.74) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633259 0.82 JAK2 (0.63) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633493 0.82 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634109 0.82 JAK2 (0.67) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633545 0.80 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 3 patents. 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
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed
US-7932262-B2 Quinazolines for PDK1 inhibition NOVARTIS AG (CH) 2011-04-26 US disclosed