SCHEMBL4436056

SCHEMBL4436056

Nc1ccc(Br)nc1C(=O)Nc1cnccc1N(C(=O)O)C1CNCCC1F

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 19/20 0.38
PIM3 Q86V86 19/20 0.38
PIM1 P11309 15/20 0.38
PRKCA P17252 1/20 0.36
GSK3B P49841 1/20 0.36
PRKCQ Q04759 1/20 0.36
DYRK1A Q13627 1/20 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
SCHEMBL4437099 0.84 PIM2 (0.34) PIM2PIM3PIM1
SCHEMBL4438383 0.84 PIM2 (0.34) PIM2PIM3PIM1
SCHEMBL4436847 0.83 PIM3 (0.38) PIM2PIM3PIM1
SCHEMBL4434926 0.83 PIM2 (0.34) PIM2PIM3PIM1
SCHEMBL3406178 0.79 KDM4E (0.38) PIM2PIM3PIM1
SCHEMBL3415524 0.79 KDM4E (0.38) PIM2PIM3PIM1
SCHEMBL3406173 0.79 KDM4E (0.38) PIM2PIM3PIM1
SCHEMBL4445784 0.78 PIM3 (0.37) PIM2PIM3PIM1
SCHEMBL4438077 0.77 PIM2 (0.38) PIM2PIM3PIM1
SCHEMBL4439362 0.75 PIM2 (0.34) 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