SCHEMBL20459891

SCHEMBL20459891

FC(F)(F)Cn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCNCC3)n2)cn1

nearest known ligand 0.93

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 0.93
PIM3 Q86V86 20/20 0.93
PIM2 Q9P1W9 20/20 0.93

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
SCHEMBL15400559 0.97 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL20459957 0.89 PIM1 (0.83) PIM1PIM3PIM2
SCHEMBL15400721 0.89 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15400720 0.89 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15400986 0.89 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401297 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15399986 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15399984 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401151 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401084 0.87 PIM1 (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
EP-2867232-B1 5-AZAINDAZOLE COMPOUNDS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2018-08-08 EP disclosed