SCHEMBL4554934

SCHEMBL4554934

CC(C)(C)OC(=O)N[C@H]1CCCN(c2ccncc2NCc2nc(B3OC(C)(C)C(C)(C)O3)ccc2N)C1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 4/20 0.42
JAK3 P52333 2/20 0.42
MAP4K4 O95819 2/20 0.42
F10 P00742 1/20 0.38
EGFR P00533 1/20 0.38
LCK P06239 1/20 0.38
AURKA O14965 3/20 0.38
PDPK1 O15530 3/20 0.38
AURKB Q96GD4 3/20 0.38
PDE10A Q9Y233 1/20 0.37
SYK P43405 1/20 0.37
PIM2 Q9P1W9 6/20 0.37
PIM3 Q86V86 5/20 0.37
USP30 Q70CQ3 1/20 0.37
PIM1 P11309 2/20 0.36

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
SCHEMBL4555796 0.90 F10 (0.41) BTKJAK3MAP4K4F10EGFR
SCHEMBL4554936 0.87 PIM2 (0.50) BTKJAK3MAP4K4PIM2PIM3
SCHEMBL11907517 0.87 PIM2 (0.50) BTKJAK3MAP4K4PIM2PIM3
SCHEMBL4555707 0.86 MAP4K4 (0.45) BTKJAK3MAP4K4EGFRLCK
SCHEMBL4565715 0.81 MAP4K4 (0.43) BTKJAK3MAP4K4F10EGFR
SCHEMBL11908095 0.80 PIM2 (0.48) F10PIM2PIM3PIM1
SCHEMBL4554092 0.80 PIM2 (0.32) PIM2PIM3USP30PIM1
SCHEMBL4555798 0.80 PIM2 (0.48) F10PIM2PIM3PIM1
SCHEMBL1710231 0.77 MAP4K4 (0.57) BTKJAK3MAP4K4EGFRLCK
SCHEMBL1710229 0.77 MAP4K4 (0.57) BTKJAK3MAP4K4EGFRLCK

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