SCHEMBL4437099

SCHEMBL4437099

CC(C)(C)[Si](C)(C)O[C@@H]1CCNC[C@H]1N(C(=O)O)c1ccncc1NC(=O)c1nc(Br)ccc1N

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 17/20 0.34
PIM3 Q86V86 15/20 0.34
PIM1 P11309 11/20 0.34
PDE10A Q9Y233 3/20 0.31

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
SCHEMBL4438383 1.00 PIM2 (0.34) PIM2PIM3PIM1PDE10A
SCHEMBL4434926 0.94 PIM2 (0.34) PIM2PIM3PIM1PDE10A
SCHEMBL4444690 0.89 PIM3 (0.37) PIM2PIM3PIM1
SCHEMBL4435474 0.87 PIM2 (0.49) PIM2PIM3PIM1
SCHEMBL4436056 0.84 PIM2 (0.38) PIM2PIM3PIM1
SCHEMBL3411679 0.84 PIM1 (0.40) PIM2PIM3PIM1
SCHEMBL4439362 0.84 PIM2 (0.34) PIM2PIM3PIM1PDE10A
SCHEMBL3411675 0.84 PIM1 (0.40) PIM2PIM3PIM1
SCHEMBL4437200 0.83 PIM1 (0.38) PIM2PIM3PIM1
SCHEMBL4439852 0.83 PIM3 (0.37) PIM2PIM3PIM1

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