SCHEMBL20459908

SCHEMBL20459908

CCn1cc(-c2cc3c(cn2)cnn3-c2cccc(N3CCCC3)n2)cn1

nearest known ligand 0.84

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 20/20 0.84
PIM3 Q86V86 20/20 0.84
PIM2 Q9P1W9 20/20 0.84

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
SCHEMBL20460029 0.99 PIM1 (0.83) PIM1PIM3PIM2
SCHEMBL15400474 0.92 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401151 0.91 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401096 0.90 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401172 0.89 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15400838 0.89 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15399993 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15399991 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15401602 0.88 PIM1 (1.00) PIM1PIM3PIM2
SCHEMBL15400492 0.86 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