SCHEMBL11295041

SCHEMBL11295041

CN1CCOc2c1c(Cl)nn1c(-c3ccnc(C(F)(F)F)c3)nnc21

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM2 Q9P1W9 12/20 0.48
PIM1 P11309 9/20 0.47
PIM3 Q86V86 7/20 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
SCHEMBL14554060 0.85 PIM2 (0.34) PIM2PIM1PIM3
SCHEMBL2177985 0.83 PIM2 (0.66) PIM2PIM1PIM3
SCHEMBL25229968 0.83 PIM2 (0.48) PIM2PIM1PIM3
SCHEMBL27081307 0.79 PDE4B (0.34) PIM2PIM1PIM3
SCHEMBL2177884 0.79 PIM2 (0.71) PIM2PIM1PIM3
SCHEMBL30422172 0.79 PIM2 (0.71) PIM2PIM1PIM3
SCHEMBL11305149 0.78 PIM2 (0.53) PIM2PIM1PIM3
SCHEMBL14762261 0.77 PIM1 (0.62) PIM2PIM1PIM3
SCHEMBL12494693 0.77 PIM3 (0.66) PIM2PIM1PIM3
SCHEMBL2178502 0.76 PIM3 (0.66) PIM2PIM1PIM3

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-2012098387-A1 6, 7-RING-FUSED TRIAZOLO [4, 3 - B] PYRIDAZINE DERIVATIVES AS PIM INHIBITORS CENTRO NACIONAL DE INVESTIGACIONES ONCOLÓGICAS (CNIO) (ES) 2012-07-26 WO disclosed