SCHEMBL14067752

SCHEMBL14067752

CC(C)(C)OC(=O)NC1CCCN(c2ccncc2NC(=C2CC2)c2nc(Br)c(F)cc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.42
PIM3 Q86V86 10/20 0.42
PIM2 Q9P1W9 10/20 0.42
PIM1 P11309 7/20 0.42
BTK Q06187 1/20 0.40
SYK P43405 1/20 0.40
GSK3B P49841 2/20 0.40
DYRK1A Q13627 2/20 0.40
F10 P00742 1/20 0.40
DYRK3 O43781 1/20 0.40
CSNK1E P49674 1/20 0.40
CLK1 P49759 1/20 0.40
CLK2 P49760 1/20 0.40
CLK3 P49761 1/20 0.40
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
DYRK2 Q92630 1/20 0.40
CLK4 Q9HAZ1 1/20 0.40
DYRK4 Q9NR20 1/20 0.40
DYRK1B Q9Y463 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
SCHEMBL11906686 0.92 PIM2 (0.50) MAP4K4PIM3PIM2PIM1GSK3B
SCHEMBL4565716 0.92 PIM2 (0.50) MAP4K4PIM3PIM2PIM1GSK3B
SCHEMBL4565715 0.84 MAP4K4 (0.43) MAP4K4PIM3PIM2PIM1BTK
SCHEMBL14068070 0.84 PIM2 (0.38) PIM3PIM2PIM1GSK3BDYRK1A
SCHEMBL14067915 0.84 PIM2 (0.38) PIM3PIM2PIM1GSK3BDYRK1A
SCHEMBL11907983 0.82 PIM2 (0.48) PIM3PIM2PIM1BTK
SCHEMBL11907982 0.82 PIM2 (0.48) PIM3PIM2PIM1BTK
SCHEMBL4442443 0.80 PIM2 (0.45) MAP4K4PIM3PIM2PIM1BTK
SCHEMBL4442444 0.80 PIM2 (0.45) MAP4K4PIM3PIM2PIM1BTK
SCHEMBL11907439 0.80 PIM2 (0.55) MAP4K4PIM3PIM2PIM1BTK

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
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed