SCHEMBL28787115

SCHEMBL28787115

CS(=O)(=O)c1ccc(Nc2nc(-c3ccc(CN4CCOCC4)nc3)cc3c2C(C=O)NC=C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
JAK2 O60674 10/20 0.39
JAK3 P52333 9/20 0.39
PTK2 Q05397 8/20 0.39
SYK P43405 3/20 0.34
AURKB Q96GD4 1/20 0.34
HIF1A Q16665 1/20 0.33
EPAS1 Q99814 1/20 0.33
MTOR P42345 1/20 0.33
KCNH2 Q12809 1/20 0.33
AOC3 Q16853 1/20 0.33
PTGS2 P35354 1/20 0.33
GCK P35557 1/20 0.33

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
SCHEMBL27826835 0.90 SYK (0.40) JAK2SYKAURKBKCNH2AOC3
SCHEMBL27806069 0.86 ZAP70 (0.40) SYK
SCHEMBL27805955 0.81 SYK (0.45) JAK2JAK3PTK2SYKAURKB
SCHEMBL27827067 0.81 JAK2 (0.45) JAK2JAK3SYK
SCHEMBL27805867 0.81 JAK2 (0.49) JAK2JAK3PTK2PTGS2
SCHEMBL27806245 0.79 JAK2 (0.49) JAK2JAK3PTK2AURKB
SCHEMBL28790576 0.79 SYK (0.39) JAK2JAK3PTK2SYK
SCHEMBL3360211 0.78 JAK2 (0.41) JAK2JAK3PTK2SYKMTOR
SCHEMBL28790460 0.78 SYK (0.41) JAK2SYKAURKB
SCHEMBL27806023 0.77 SYK (0.41) JAK2JAK3SYK

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101990539-A Compounds and compositions as kinase inhibitors IRM LLC 2011-03-23 CN claimed