SCHEMBL4565715

SCHEMBL4565715

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

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.43
F10 P00742 1/20 0.42
BTK Q06187 4/20 0.42
JAK3 P52333 2/20 0.42
SYK P43405 1/20 0.41
AURKA O14965 3/20 0.40
PDPK1 O15530 3/20 0.40
AURKB Q96GD4 3/20 0.40
ALOX5AP P20292 1/20 0.39
FEN1 P39748 1/20 0.39
PIM2 Q9P1W9 5/20 0.38
PIM1 P11309 3/20 0.38
PIM3 Q86V86 3/20 0.38
PDE10A Q9Y233 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
DPP4 P27487 1/20 0.37

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
SCHEMBL4555707 0.88 MAP4K4 (0.45) MAP4K4BTKJAK3SYKAURKA
SCHEMBL4555796 0.86 F10 (0.41) MAP4K4F10BTKJAK3SYK
SCHEMBL4565716 0.86 PIM2 (0.50) MAP4K4PIM2PIM1PIM3
SCHEMBL11906686 0.86 PIM2 (0.50) MAP4K4PIM2PIM1PIM3
SCHEMBL14067752 0.84 MAP4K4 (0.42) MAP4K4F10BTKSYKAURKA
SCHEMBL4554934 0.81 BTK (0.42) MAP4K4F10BTKJAK3SYK
SCHEMBL11907983 0.80 PIM2 (0.48) BTKJAK3PIM2PIM1PIM3
SCHEMBL11907982 0.80 PIM2 (0.48) BTKJAK3PIM2PIM1PIM3
SCHEMBL1710231 0.78 MAP4K4 (0.57) MAP4K4BTKJAK3SYKAURKA
SCHEMBL1710229 0.78 MAP4K4 (0.57) MAP4K4BTKJAK3SYKAURKA

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