SCHEMBL4555707

SCHEMBL4555707

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2NCc2nc(Br)ccc2N)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 2/20 0.45
BTK Q06187 4/20 0.44
JAK3 P52333 2/20 0.44
AURKA O14965 3/20 0.41
PDPK1 O15530 3/20 0.41
AURKB Q96GD4 3/20 0.41
PDE10A Q9Y233 1/20 0.40
SYK P43405 1/20 0.40
PIM2 Q9P1W9 8/20 0.40
PIM3 Q86V86 7/20 0.40
EGFR P00533 1/20 0.39
LCK P06239 1/20 0.39
PIM1 P11309 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
SCHEMBL4565715 0.88 MAP4K4 (0.43) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL4554934 0.86 BTK (0.42) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL4555708 0.85 PIM2 (0.55) MAP4K4BTKPIM2PIM3PIM1
SCHEMBL11907439 0.85 PIM2 (0.55) MAP4K4BTKPIM2PIM3PIM1
SCHEMBL4555796 0.82 F10 (0.41) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL1710581 0.81 MAP4K4 (0.57) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL1710229 0.81 MAP4K4 (0.57) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL1710231 0.81 MAP4K4 (0.57) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL4564058 0.80 MAP4K4 (0.55) MAP4K4BTKJAK3AURKAPDPK1
SCHEMBL13833280 0.80 MAP4K4 (0.55) MAP4K4BTKJAK3AURKAPDPK1

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