SCHEMBL1633012

SCHEMBL1633012

COCCNS(=O)(=O)c1cccc(Nc2ncc3cccc(OC4CCNCC4)c3n2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 5/20 0.57
JAK1 P23458 5/20 0.57
TYK2 P29597 5/20 0.57
JAK3 P52333 5/20 0.57
CCNT1 O60563 2/20 0.51
CDK1 P06493 2/20 0.51
CCNB1 P14635 2/20 0.51
CCNA2 P20248 2/20 0.51
CDK2 P24941 2/20 0.51
CDK7 P50613 2/20 0.51
CDK9 P50750 2/20 0.51
CCNH P51946 2/20 0.51
TNIK Q9UKE5 1/20 0.47
SYK P43405 3/20 0.43
BMPR2 Q13873 1/20 0.43
KIT P10721 2/20 0.42
KDR P35968 1/20 0.42
FLT3 P36888 1/20 0.42
ALK Q9UM73 1/20 0.41
NUAK1 O60285 1/20 0.40

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
SCHEMBL1633282 0.92 JAK2 (0.59) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL1631338 0.86 JAK2 (0.57) JAK2JAK1TYK2JAK3CDK7
SCHEMBL1633307 0.85 JAK2 (0.61) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632074 0.85 JAK2 (0.60) JAK2JAK1TYK2JAK3TNIK
SCHEMBL13498292 0.83 JAK3 (0.63) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL12724702 0.80 JAK2 (0.61) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633512 0.79 JAK2 (0.56) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632798 0.79 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633259 0.79 JAK2 (0.63) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL1635098 0.78 JAK2 (0.74) JAK2JAK1TYK2JAK3CDK1

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