SCHEMBL4777068

SCHEMBL4777068

NS(=O)(=O)c1ccc(Nc2ncc3ccc(Br)c(OC4CCN(C(=O)O)CC4)c3n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.44
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
CDK1 P06493 7/20 0.42
CDK2 P24941 7/20 0.42
CDK9 P50750 6/20 0.42
STK4 Q13043 2/20 0.41
IGF1R P08069 1/20 0.41
CA2 P00918 6/20 0.40
CCNT1 O60563 4/20 0.40
CCNB1 P14635 4/20 0.40
CDK7 P50613 3/20 0.40
CCNH P51946 2/20 0.40
CDK4 P11802 2/20 0.40
KDR P35968 2/20 0.40
CCND1 P24385 1/20 0.40
CCNE1 P24864 4/20 0.40
IKBKB O14920 3/20 0.39

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
SCHEMBL1634122 0.88 GPR119 (0.46) SYKJAK2JAK1TYK2JAK3
SCHEMBL1633008 0.84 CDK1 (0.46) SYKJAK2JAK1TYK2JAK3
SCHEMBL4667180 0.78 IKBKB (0.37) JAK2JAK1TYK2JAK3IKBKB
SCHEMBL1634712 0.77 JAK2 (0.72) SYKJAK2JAK1TYK2JAK3
SCHEMBL1632574 0.73 CA1 (0.47) SYKJAK2JAK1TYK2JAK3
SCHEMBL1632243 0.73 IKBKB (0.47) SYKJAK2JAK1TYK2JAK3
SCHEMBL1633095 0.73 CA2 (0.53) SYKCDK1CDK2CDK9CA2
SCHEMBL1633530 0.72 JAK2 (0.58) JAK2JAK1TYK2JAK3CDK1
SCHEMBL1633546 0.72 CDK1 (0.44) SYKJAK2JAK1TYK2JAK3
SCHEMBL1634265 0.72 IKBKB (0.45) SYKJAK2JAK1TYK2JAK3

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
EP-2004615-A2 QUINAZOLINES FOR PDK1 INHIBITION Novartis AG (CH) 2008-12-24 EP disclosed
WO-2007117607-A2 QUINAZOLINES FOR PDK1 INHIBITION NOVARTIS AG (CH) 2007-10-18 WO disclosed