SCHEMBL1633259

SCHEMBL1633259

CN1CCN(S(=O)(=O)c2cccc(Nc3ncc4cccc(OC5CCNCC5)c4n3)c2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.63
JAK1 P23458 3/20 0.63
TYK2 P29597 3/20 0.63
JAK3 P52333 3/20 0.63
PIK3CD O00329 2/20 0.50
PIK3C2G O75747 2/20 0.50
PIK3CG P48736 2/20 0.50
CCNT1 O60563 1/20 0.48
CDK1 P06493 1/20 0.48
CCNB1 P14635 1/20 0.48
CCNA2 P20248 1/20 0.48
CDK2 P24941 1/20 0.48
CDK7 P50613 1/20 0.48
CDK9 P50750 1/20 0.48
CCNH P51946 1/20 0.48
TNIK Q9UKE5 1/20 0.47
PDGFRB P09619 2/20 0.47
SRC P12931 2/20 0.47
PDE5A O76074 8/20 0.46
BMPR2 Q13873 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
SCHEMBL1633850 0.92 JAK2 (0.65) JAK2JAK1TYK2JAK3PIK3CD
SCHEMBL1633493 0.90 JAK2 (0.58) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL13498292 0.84 JAK3 (0.63) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL1636291 0.83 JAK3 (0.56) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL1633307 0.82 JAK2 (0.61) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632074 0.82 JAK2 (0.60) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633848 0.81 JAK2 (0.60) JAK2JAK1TYK2JAK3CCNT1
SCHEMBL1632743 0.81 JAK3 (0.69) JAK2JAK1TYK2JAK3CDK1
SCHEMBL1631338 0.81 JAK2 (0.57) JAK2JAK1TYK2JAK3PIK3CG
SCHEMBL12724051 0.80 JAK2 (0.48) JAK2JAK1TYK2JAK3CCNT1

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
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