SCHEMBL4433639

SCHEMBL4433639

CN(C1CCNCC1)C1CCCN(c2ccncc2NC(=O)c2nc(Br)cnc2N)C1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 14/20 0.55
PIM3 Q86V86 11/20 0.55
PIM1 P11309 7/20 0.55
GSK3B P49841 7/20 0.52
PRKCA P17252 4/20 0.52
PRKCQ Q04759 4/20 0.52
ATR Q13535 1/20 0.51
DYRK1A Q13627 5/20 0.47
DYRK3 O43781 1/20 0.47
CSNK1E P49674 1/20 0.47
CLK1 P49759 1/20 0.47
CLK2 P49760 1/20 0.47
CLK3 P49761 1/20 0.47
CDK5 Q00535 1/20 0.47
CDK5R1 Q15078 1/20 0.47
DYRK2 Q92630 1/20 0.47
CLK4 Q9HAZ1 1/20 0.47
DYRK4 Q9NR20 1/20 0.47
DYRK1B Q9Y463 1/20 0.47

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
SCHEMBL4436035 0.82 PIM2 (0.79) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11984304 0.81 PIM2 (0.57) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL4432032 0.80 PIM2 (0.60) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11908595 0.80 PIM2 (0.80) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11906844 0.79 PIM2 (0.76) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11906883 0.78 PIM2 (0.57) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL14067717 0.77 PIM2 (0.56) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11907433 0.77 PIM2 (0.55) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11984605 0.76 PIM2 (0.58) PIM2PIM3PIM1GSK3BPRKCA
SCHEMBL11984735 0.76 PIM2 (0.79) PIM2PIM3PIM1GSK3BPRKCA

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