SCHEMBL2176231

SCHEMBL2176231

CCN1CCOc2c1c(N1CCC3(CC1)CC(N)C3)nn1c(-c3cccc(OC(F)(F)F)c3)nnc21

nearest known ligand 0.77

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM3 Q86V86 8/20 0.77
PIM1 P11309 9/20 0.63
PIM2 Q9P1W9 10/20 0.63

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
SCHEMBL14762796 0.91 PIM3 (0.90) PIM3PIM1PIM2
SCHEMBL2226459 0.87 PIM3 (1.00) PIM3PIM1PIM2
SCHEMBL12495428 0.85 PIM3 (0.73) PIM3PIM1PIM2
SCHEMBL2178901 0.85 PIM3 (0.73) PIM3PIM1PIM2
SCHEMBL14762713 0.84 PIM3 (0.77) PIM3PIM1PIM2
SCHEMBL12497164 0.81 PIM2 (0.72) PIM3PIM1PIM2
SCHEMBL12491815 0.80 PIM2 (0.73) PIM3PIM1PIM2
SCHEMBL2179231 0.79 PIM2 (0.89) PIM3PIM1PIM2
SCHEMBL14762211 0.78 PIM2 (0.75) PIM3PIM1PIM2
SCHEMBL2179181 0.77 PIM1 (1.00) PIM3PIM1PIM2

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-2519526-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS Centro Nacional de Investigaciones Oncológicas (CNIO) (ES) 2012-11-07 EP disclosed
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO disclosed