SCHEMBL2177939

SCHEMBL2177939

CCN(CCN1CCOCC1)c1nn2c(-c3cccc(OC(F)(F)F)c3)nnc2c2c1N(C)CCO2

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 11/20 0.84
PIM3 Q86V86 8/20 0.84
PIM1 P11309 10/20 0.60

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
SCHEMBL12494860 0.91 PIM2 (1.00) PIM2PIM3PIM1
SCHEMBL12493475 0.83 PIM2 (1.00) PIM2PIM3PIM1
SCHEMBL2178970 0.82 PIM2 (1.00) PIM2PIM3PIM1
SCHEMBL2222293 0.81 PIM2 (0.92) PIM2PIM3PIM1
SCHEMBL12497702 0.81 PIM2 (0.73) PIM2PIM3PIM1
SCHEMBL12495896 0.80 PIM3 (0.88) PIM2PIM3PIM1
SCHEMBL2177884 0.79 PIM2 (0.71) PIM2PIM3PIM1
SCHEMBL30422172 0.79 PIM2 (0.71) PIM2PIM3PIM1
SCHEMBL14770835 0.79 PIM2 (0.88) PIM2PIM3PIM1
SCHEMBL2177645 0.79 PIM2 (0.73) 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-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