SCHEMBL2225376

SCHEMBL2225376

CC(=O)N(CCN1CCNCC1)c1nn2c(-c3cccc(OC(F)(F)F)c3)nnc2c2c1OCCN2C.CN1CCOc2c(CC(=O)NCCN3CCNCC3)nn3c(-c4cccc(OC(F)(F)F)c4)nnc3c21

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 13/20 0.65
PIM3 Q86V86 7/20 0.55
PIM2 Q9P1W9 5/20 0.55

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
SCHEMBL12498458 0.92 PIM1 (0.69) PIM1PIM3PIM2
SCHEMBL2179129 0.81 PIM1 (0.77) PIM1PIM3PIM2
SCHEMBL2179733 0.79 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL14768540 0.76 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL2178777 0.74 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL2175328 0.74 PIM1 (0.79) PIM1PIM3PIM2
SCHEMBL12498026 0.72 PIM1 (0.86) PIM1PIM3PIM2
SCHEMBL12495896 0.72 PIM3 (0.88) PIM1PIM3PIM2
SCHEMBL14762135 0.72 PIM1 (0.90) PIM1PIM3PIM2
SCHEMBL12494860 0.72 PIM2 (1.00) PIM1PIM3PIM2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080510-A1 TRICYCLIC COMPOUNDS FOR USE AS KINASE INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2011-07-07 WO disclosed