SCHEMBL1633557

SCHEMBL1633557

CN1C2CCC1CC(Oc1cccc3cnc(Nc4ccc(S(N)(=O)=O)cc4)nc13)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 3/20 0.52
JAK1 P23458 3/20 0.52
TYK2 P29597 3/20 0.52
JAK3 P52333 3/20 0.52
TNIK Q9UKE5 1/20 0.48
STK4 Q13043 9/20 0.47
CDK2 P24941 5/20 0.44
CCNE1 P24864 4/20 0.44
CDK1 P06493 3/20 0.44
CDK9 P50750 3/20 0.44
CCNT1 O60563 2/20 0.44
CCNB2 O95067 2/20 0.44
CCNE2 O96020 2/20 0.44
CCNB1 P14635 2/20 0.44
CDK5 Q00535 2/20 0.44
CDK5R1 Q15078 2/20 0.44
CCNB3 Q8WWL7 2/20 0.44
PLK1 P53350 1/20 0.43
PLK3 Q9H4B4 1/20 0.43
PLK2 Q9NYY3 1/20 0.43

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
SCHEMBL1633530 0.88 JAK2 (0.58) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632504 0.87 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632506 0.87 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633462 0.87 JAK2 (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634743 0.86 TNIK (0.55) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1631022 0.85 JAK2 (0.54) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1633222 0.85 STK4 (0.48) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632939 0.84 JAK2 (0.51) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1634722 0.84 JAK2 (0.54) JAK2JAK1TYK2JAK3TNIK
SCHEMBL1632315 0.84 JAK2 (0.52) 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 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