SCHEMBL4555796

SCHEMBL4555796

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2NCc2nc(B3OC(C)(C)C(C)(C)O3)c(F)cc2N)C1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.41
BTK Q06187 4/20 0.40
JAK3 P52333 2/20 0.40
MAP4K4 O95819 2/20 0.39
SYK P43405 1/20 0.38
AURKA O14965 3/20 0.37
PDPK1 O15530 3/20 0.37
AURKB Q96GD4 3/20 0.37
PIM3 Q86V86 4/20 0.37
PIM2 Q9P1W9 4/20 0.37
PIM1 P11309 2/20 0.37
ALOX5AP P20292 1/20 0.36
FEN1 P39748 1/20 0.36
EGFR P00533 1/20 0.36
LCK P06239 1/20 0.36
PDE10A Q9Y233 1/20 0.35
DPP4 P27487 1/20 0.35
USP30 Q70CQ3 1/20 0.35

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
SCHEMBL4554934 0.90 BTK (0.42) F10BTKJAK3MAP4K4SYK
SCHEMBL4555798 0.88 PIM2 (0.48) F10PIM3PIM2PIM1
SCHEMBL11908095 0.88 PIM2 (0.48) F10PIM3PIM2PIM1
SCHEMBL4565715 0.86 MAP4K4 (0.43) F10BTKJAK3MAP4K4SYK
SCHEMBL4555707 0.82 MAP4K4 (0.45) BTKJAK3MAP4K4SYKAURKA
SCHEMBL11907517 0.78 PIM2 (0.50) BTKJAK3MAP4K4PIM3PIM2
SCHEMBL4554936 0.78 PIM2 (0.50) BTKJAK3MAP4K4PIM3PIM2
SCHEMBL15996772 0.77 PIM2 (0.48) PIM3PIM2PIM1
SCHEMBL4565716 0.75 PIM2 (0.50) MAP4K4PIM3PIM2PIM1
SCHEMBL11906686 0.75 PIM2 (0.50) MAP4K4PIM3PIM2PIM1

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-2132177-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE Novartis Ag (CH) 2009-12-16 EP disclosed
WO-2008106692-A1 PIM KINASE INHIBITORS AND METHODS OF THEIR USE NOVARTIS VACCINES AND DIAGNOSTICS, INC. (US) 2008-09-04 WO disclosed